6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide

C24H29F2N7O4 — CID 121409403

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide
SMILESNc1ncncc1OCC1CCN(c2cc(C(=O)NC3[C@H]4COC[C@@H]34)nc(OCC3CC3(F)F)n2)CC1
InChIInChI=1S/C24H29F2N7O4/c25-24(26)6-14(24)9-37-23-30-17(22(34)32-20-15-10-35-11-16(15)20)5-19(31-23)33-3-1-13(2-4-33)8-36-18-7-28-12-29-21(18)27/h5,7,12-16,20H,1-4,6,8-11H2,(H,32,34)(H2,27,28,29)/t14?,15-,16+,20?
InChIKeyVGFJCCDCMSOEFQ-QKSYQBNISA-N
MW517.54 g/mol
LogP1.55
Rot. Bonds9

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide (PubChem CID 121409403) has the molecular formula C24H29F2N7O4 and a molecular weight of 517.54 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide
PubChem CID121409403
Molecular FormulaC24H29F2N7O4
Molecular Weight517.54 g/mol
Exact Mass517.22
IUPAC Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide
SMILESNc1ncncc1OCC1CCN(c2cc(C(=O)NC3[C@H]4COC[C@@H]34)nc(OCC3CC3(F)F)n2)CC1
InChIInChI=1S/C24H29F2N7O4/c25-24(26)6-14(24)9-37-23-30-17(22(34)32-20-15-10-35-11-16(15)20)5-19(31-23)33-3-1-13(2-4-33)8-36-18-7-28-12-29-21(18)27/h5,7,12-16,20H,1-4,6,8-11H2,(H,32,34)(H2,27,28,29)/t14?,15-,16+,20?
InChIKeyVGFJCCDCMSOEFQ-QKSYQBNISA-N
XLogP1.55
TPSA137.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide (CID 121409403) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide is Nc1ncncc1OCC1CCN(c2cc(C(=O)NC3[C@H]4COC[C@@H]34)nc(OCC3CC3(F)F)n2)CC1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide?
The InChIKey is VGFJCCDCMSOEFQ-QKSYQBNISA-N. The full InChI is InChI=1S/C24H29F2N7O4/c25-24(26)6-14(24)9-37-23-30-17(22(34)32-20-15-10-35-11-16(15)20)5-19(31-23)33-3-1-13(2-4-33)8-36-18-7-28-12-29-21(18)27/h5,7,12-16,20H,1-4,6,8-11H2,(H,32,34)(H2,27,28,29)/t14?,15-,16+,20?.
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide has a molecular weight of 517.54 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).