4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine

C19H25F2N7 — CID 51852597

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NC[C@H](C)Cn3ccc(C)n3)n2)c1C
InChIInChI=1S/C19H25F2N7/c1-5-28-14(4)15(10-23-28)16-8-17(18(20)21)25-19(24-16)22-9-12(2)11-27-7-6-13(3)26-27/h6-8,10,12,18H,5,9,11H2,1-4H3,(H,22,24,25)/t12-/m0/s1
InChIKeyXVNFYNDNVIRIAO-LBPRGKRZSA-N
MW389.45 g/mol
LogP3.86
Rot. Bonds8

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine (PubChem CID 51852597) has the molecular formula C19H25F2N7 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine
PubChem CID51852597
Molecular FormulaC19H25F2N7
Molecular Weight389.45 g/mol
Exact Mass389.21
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NC[C@H](C)Cn3ccc(C)n3)n2)c1C
InChIInChI=1S/C19H25F2N7/c1-5-28-14(4)15(10-23-28)16-8-17(18(20)21)25-19(24-16)22-9-12(2)11-27-7-6-13(3)26-27/h6-8,10,12,18H,5,9,11H2,1-4H3,(H,22,24,25)/t12-/m0/s1
InChIKeyXVNFYNDNVIRIAO-LBPRGKRZSA-N
XLogP3.86
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine (CID 51852597) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine is CCn1ncc(-c2cc(C(F)F)nc(NC[C@H](C)Cn3ccc(C)n3)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is XVNFYNDNVIRIAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25F2N7/c1-5-28-14(4)15(10-23-28)16-8-17(18(20)21)25-19(24-16)22-9-12(2)11-27-7-6-13(3)26-27/h6-8,10,12,18H,5,9,11H2,1-4H3,(H,22,24,25)/t12-/m0/s1.
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 389.45 g/mol, XLogP of 3.86, 8 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)-2-methyl-3-(3-methylpyrazol-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 51852597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).