N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine

C19H24N4O — CID 171359091

IUPACN-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1[C@@H]1CCCN1c1cc(NCC2CC2)ncn1
InChIInChI=1S/C19H24N4O/c1-24-17-7-3-2-5-15(17)16-6-4-10-23(16)19-11-18(21-13-22-19)20-12-14-8-9-14/h2-3,5,7,11,13-14,16H,4,6,8-10,12H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeyRBAXGNPXLULZGE-INIZCTEOSA-N
MW324.43 g/mol
LogP3.65
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine

N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 171359091) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID171359091
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1ccccc1[C@@H]1CCCN1c1cc(NCC2CC2)ncn1
InChIInChI=1S/C19H24N4O/c1-24-17-7-3-2-5-15(17)16-6-4-10-23(16)19-11-18(21-13-22-19)20-12-14-8-9-14/h2-3,5,7,11,13-14,16H,4,6,8-10,12H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeyRBAXGNPXLULZGE-INIZCTEOSA-N
XLogP3.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 171359091) is N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine is COc1ccccc1[C@@H]1CCCN1c1cc(NCC2CC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is RBAXGNPXLULZGE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-17-7-3-2-5-15(17)16-6-4-10-23(16)19-11-18(21-13-22-19)20-12-14-8-9-14/h2-3,5,7,11,13-14,16H,4,6,8-10,12H2,1H3,(H,20,21,22)/t16-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 171359091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).