4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine

C10H15N5O2 — CID 114044456

IUPAC4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-6-4-3-5-14(6)9-8(15(16)17)7(2)12-10(11)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHDRIBJSTDWFZEC-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.26
Rot. Bonds2

About 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine

4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine (PubChem CID 114044456) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine
PubChem CID114044456
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine
SMILESCc1nc(N)nc(N2CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-6-4-3-5-14(6)9-8(15(16)17)7(2)12-10(11)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyHDRIBJSTDWFZEC-UHFFFAOYSA-N
XLogP1.26
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.26
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

4-chloro-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidine
CID 62102665
N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
2-methyl-4-(2-methylpiperidin-1-yl)-1H-imidazol-5-amine
CID 82234676
6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 2940089
4-(4-methylphenyl)sulfanyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492126
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
N-(4-chlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492114
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
4-methyl-5-[(2R)-2-methylpiperidin-1-yl]-2-nitroaniline
CID 99968922
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine (CID 114044456) is 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine is Cc1nc(N)nc(N2CCCC2C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine?
The InChIKey is HDRIBJSTDWFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-4-3-5-14(6)9-8(15(16)17)7(2)12-10(11)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine?
4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 114044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).