N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine

C22H27N7 — CID 70687548

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine
SMILESCN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
InChIKeyPQICVAXZZYDYLU-QGZVFWFLSA-N
MW389.51 g/mol
LogP3.63
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine (PubChem CID 70687548) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine
PubChem CID70687548
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine
SMILESCN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
InChIKeyPQICVAXZZYDYLU-QGZVFWFLSA-N
XLogP3.63
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine (CID 70687548) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine is CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine?
The InChIKey is PQICVAXZZYDYLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine has a molecular weight of 389.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 70687548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).