4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C15H14F2N6 — CID 175696684

IUPAC4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC[C@H]2CC2(F)F)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H14F2N6/c16-15(17)6-9(15)7-19-13-10-2-1-8(11-3-4-20-23-11)5-12(10)21-14(18)22-13/h1-5,9H,6-7H2,(H,20,23)(H3,18,19,21,22)/t9-/m1/s1
InChIKeyTVARGAYHKAWPLH-SECBINFHSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds4

About 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 175696684) has the molecular formula C15H14F2N6 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID175696684
Molecular FormulaC15H14F2N6
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC[C@H]2CC2(F)F)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H14F2N6/c16-15(17)6-9(15)7-19-13-10-2-1-8(11-3-4-20-23-11)5-12(10)21-14(18)22-13/h1-5,9H,6-7H2,(H,20,23)(H3,18,19,21,22)/t9-/m1/s1
InChIKeyTVARGAYHKAWPLH-SECBINFHSA-N
XLogP2.67
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175739698
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649367

Frequently Asked Questions

What is the IUPAC name of 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 175696684) is 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NC[C@H]2CC2(F)F)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is TVARGAYHKAWPLH-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F2N6/c16-15(17)6-9(15)7-19-13-10-2-1-8(11-3-4-20-23-11)5-12(10)21-14(18)22-13/h1-5,9H,6-7H2,(H,20,23)(H3,18,19,21,22)/t9-/m1/s1.
What are the key properties of 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 316.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 175696684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).