N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C19H29N7 — CID 169170094

IUPACN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCN(C)C[C@H]1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C19H29N7/c1-25(2)12-14-8-10-26(13-14)19-20-9-7-17(22-19)21-18-11-16(23-24-18)15-5-3-4-6-15/h7,9,11,14-15H,3-6,8,10,12-13H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyZHFXQPJHDXAKOL-CQSZACIVSA-N
MW355.49 g/mol
LogP2.99
Rot. Bonds6

About N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 169170094) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID169170094
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCN(C)C[C@H]1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C19H29N7/c1-25(2)12-14-8-10-26(13-14)19-20-9-7-17(22-19)21-18-11-16(23-24-18)15-5-3-4-6-15/h7,9,11,14-15H,3-6,8,10,12-13H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1
InChIKeyZHFXQPJHDXAKOL-CQSZACIVSA-N
XLogP2.99
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 169170094) is N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CN(C)C[C@H]1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1.
What is the InChIKey of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZHFXQPJHDXAKOL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N7/c1-25(2)12-14-8-10-26(13-14)19-20-9-7-17(22-19)21-18-11-16(23-24-18)15-5-3-4-6-15/h7,9,11,14-15H,3-6,8,10,12-13H2,1-2H3,(H2,20,21,22,23,24)/t14-/m1/s1.
What are the key properties of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 169170094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).