4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine

C18H26F2N6O — CID 51853321

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCOCC3)n2)c1C
InChIInChI=1S/C18H26F2N6O/c1-4-26-13(3)14(10-21-26)15-9-16(17(19)20)24-18(23-15)22-12(2)11-25-5-7-27-8-6-25/h9-10,12,17H,4-8,11H2,1-3H3,(H,22,23,24)/t12-/m0/s1
InChIKeyISQCIJNRZUIFTB-LBPRGKRZSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds7

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine (PubChem CID 51853321) has the molecular formula C18H26F2N6O and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine
PubChem CID51853321
Molecular FormulaC18H26F2N6O
Molecular Weight380.44 g/mol
Exact Mass380.21
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCOCC3)n2)c1C
InChIInChI=1S/C18H26F2N6O/c1-4-26-13(3)14(10-21-26)15-9-16(17(19)20)24-18(23-15)22-12(2)11-25-5-7-27-8-6-25/h9-10,12,17H,4-8,11H2,1-3H3,(H,22,23,24)/t12-/m0/s1
InChIKeyISQCIJNRZUIFTB-LBPRGKRZSA-N
XLogP2.74
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
CID 7017806
4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine
CID 44821815
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 44821754
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 171131222
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 51852593
4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821870
4,6-dimethoxy-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 62861950
N-[(2-ethylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 115761765
2-N-ethyl-6-methyl-4-N-(1-morpholin-4-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80801697
5,6-diethyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazin-3-amine
CID 105362530
4-ethoxy-6-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 80901228
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine (CID 51853321) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine is CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)CN3CCOCC3)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine?
The InChIKey is ISQCIJNRZUIFTB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26F2N6O/c1-4-26-13(3)14(10-21-26)15-9-16(17(19)20)24-18(23-15)22-12(2)11-25-5-7-27-8-6-25/h9-10,12,17H,4-8,11H2,1-3H3,(H,22,23,24)/t12-/m0/s1.
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine has a molecular weight of 380.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 51853321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).