5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

C11H17N5O2 — CID 23487470

IUPAC5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)Nc1ncnc(N2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-8(2)14-10-9(16(17)18)11(13-7-12-10)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIWUZBVUIXPWHMP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.81
Rot. Bonds4

About 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine

5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 23487470) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID23487470
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)Nc1ncnc(N2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-8(2)14-10-9(16(17)18)11(13-7-12-10)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyIWUZBVUIXPWHMP-UHFFFAOYSA-N
XLogP1.81
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.81
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

6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
methyl 1-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 23487634
6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 23489844
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551
6-(azepan-1-yl)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 23489763
N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504662
6-(4-methylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492263
6-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23489779
6-(azepan-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483712
N-methyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 112730962

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 23487470) is 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)Nc1ncnc(N2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is IWUZBVUIXPWHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(2)14-10-9(16(17)18)11(13-7-12-10)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine?
5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 23487470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).