2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine

C17H19F2N11 — CID 178184741

IUPAC2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ncc(-c3nc(N)nc(NC(CCN)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C17H19F2N11/c1-9-22-7-13-23-6-10(8-29(9)13)14-25-16(21)27-17(26-14)24-11(2-4-20)12-3-5-30(28-12)15(18)19/h3,5-8,11,15H,2,4,20H2,1H3,(H3,21,24,25,26,27)
InChIKeyYFUNYBLCMZARBH-UHFFFAOYSA-N
MW415.41 g/mol
LogP1.57
Rot. Bonds7

About 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 178184741) has the molecular formula C17H19F2N11 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID178184741
Molecular FormulaC17H19F2N11
Molecular Weight415.41 g/mol
Exact Mass415.18
IUPAC Name2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ncc(-c3nc(N)nc(NC(CCN)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C17H19F2N11/c1-9-22-7-13-23-6-10(8-29(9)13)14-25-16(21)27-17(26-14)24-11(2-4-20)12-3-5-30(28-12)15(18)19/h3,5-8,11,15H,2,4,20H2,1H3,(H3,21,24,25,26,27)
InChIKeyYFUNYBLCMZARBH-UHFFFAOYSA-N
XLogP1.57
TPSA150.75 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine (CID 178184741) is 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine is Cc1ncc2ncc(-c3nc(N)nc(NC(CCN)c4ccn(C(F)F)n4)n3)cn12.
What is the InChIKey of 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YFUNYBLCMZARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N11/c1-9-22-7-13-23-6-10(8-29(9)13)14-25-16(21)27-17(26-14)24-11(2-4-20)12-3-5-30(28-12)15(18)19/h3,5-8,11,15H,2,4,20H2,1H3,(H3,21,24,25,26,27).
What are the key properties of 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 415.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-amino-1-[1-(difluoromethyl)pyrazol-3-yl]propyl]-6-(6-methylimidazo[1,5-a]pyrimidin-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 178184741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).