N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide

C20H25F2N5O4 — CID 170730824

IUPACN-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
SMILESCO[C@@H](C)COc1cnc(NC(C)=O)cc1Nc1cc(OC2CC2)nc(C(C)(F)F)n1
InChIInChI=1S/C20H25F2N5O4/c1-11(29-4)10-30-15-9-23-16(24-12(2)28)7-14(15)25-17-8-18(31-13-5-6-13)27-19(26-17)20(3,21)22/h7-9,11,13H,5-6,10H2,1-4H3,(H2,23,24,25,26,27,28)/t11-/m0/s1
InChIKeyOVLFWIUUTDCXPW-NSHDSACASA-N
MW437.45 g/mol
LogP3.64
Rot. Bonds10

About N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide

N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide (PubChem CID 170730824) has the molecular formula C20H25F2N5O4 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
PubChem CID170730824
Molecular FormulaC20H25F2N5O4
Molecular Weight437.45 g/mol
Exact Mass437.19
IUPAC NameN-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
SMILESCO[C@@H](C)COc1cnc(NC(C)=O)cc1Nc1cc(OC2CC2)nc(C(C)(F)F)n1
InChIInChI=1S/C20H25F2N5O4/c1-11(29-4)10-30-15-9-23-16(24-12(2)28)7-14(15)25-17-8-18(31-13-5-6-13)27-19(26-17)20(3,21)22/h7-9,11,13H,5-6,10H2,1-4H3,(H2,23,24,25,26,27,28)/t11-/m0/s1
InChIKeyOVLFWIUUTDCXPW-NSHDSACASA-N
XLogP3.64
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170730400
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 170731337
CID 170730856
CID 170730856
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(2R)-5-oxooxolan-2-yl]methoxy]-2-pyridinyl]acetamide
CID 175990770
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]acetamide
CID 175990718
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]propanamide
CID 170730829
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide (CID 170730824) is N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide is CO[C@@H](C)COc1cnc(NC(C)=O)cc1Nc1cc(OC2CC2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide?
The InChIKey is OVLFWIUUTDCXPW-NSHDSACASA-N. The full InChI is InChI=1S/C20H25F2N5O4/c1-11(29-4)10-30-15-9-23-16(24-12(2)28)7-14(15)25-17-8-18(31-13-5-6-13)27-19(26-17)20(3,21)22/h7-9,11,13H,5-6,10H2,1-4H3,(H2,23,24,25,26,27,28)/t11-/m0/s1.
What are the key properties of N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide?
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide has a molecular weight of 437.45 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).