N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine

C18H21N5O2 — CID 94438287

IUPACN-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine
SMILESCc1ccccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1
InChIInChI=1S/C18H21N5O2/c1-12-5-2-3-6-14(12)15-7-4-10-22(15)18-19-11-16(23(24)25)17(21-18)20-13-8-9-13/h2-3,5-6,11,13,15H,4,7-10H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyCYFVCAOPQUKIKS-OAHLLOKOSA-N
MW339.40 g/mol
LogP3.61
Rot. Bonds5

About N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine

N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine (PubChem CID 94438287) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine
PubChem CID94438287
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine
SMILESCc1ccccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1
InChIInChI=1S/C18H21N5O2/c1-12-5-2-3-6-14(12)15-7-4-10-22(15)18-19-11-16(23(24)25)17(21-18)20-13-8-9-13/h2-3,5-6,11,13,15H,4,7-10H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyCYFVCAOPQUKIKS-OAHLLOKOSA-N
XLogP3.61
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-cyclopropyl-5-nitropyrimidin-4-amine
CID 100899595
1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-3-ol
CID 134010437
ethyl 1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidine-3-carboxylate
CID 134007614
[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504541
6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 94438283
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-6-nitro-1,3-benzothiazole
CID 56574432
2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine
CID 133272284
6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136785598
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
N-cyclopropyl-2-(4-fluorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 134007604
N-cyclopropyl-5-nitro-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 55988292

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine (CID 94438287) is N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine is Cc1ccccc1[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine?
The InChIKey is CYFVCAOPQUKIKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-5-2-3-6-14(12)15-7-4-10-22(15)18-19-11-16(23(24)25)17(21-18)20-13-8-9-13/h2-3,5-6,11,13,15H,4,7-10H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine?
N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 94438287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).