4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine

C19H27N5O2 — CID 22525829

IUPAC4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(NC2CCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N5O2/c25-24(26)16-17(22-15-3-1-2-4-15)20-11-21-18(16)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H2,20,21,22,23)
InChIKeyWVMNVOIIQGNAKR-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine

4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine (PubChem CID 22525829) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
PubChem CID22525829
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(NC2CCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N5O2/c25-24(26)16-17(22-15-3-1-2-4-15)20-11-21-18(16)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H2,20,21,22,23)
InChIKeyWVMNVOIIQGNAKR-UHFFFAOYSA-N
XLogP4.12
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
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-N-cyclohexyl-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486868
N-(1-adamantyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22525821
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
4-N-(1-adamantyl)-6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22525814
N-(1-adamantyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 22525760
N-cyclohexyl-5-nitro-6-propan-2-yloxypyrimidin-4-amine
CID 23487801
N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526883
4-N-cyclopentyl-6-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22538262
4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
CID 80770430
ethyl 2-[[6-(1-adamantylamino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22525841
4-N-(1-adamantyl)-6-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine
CID 22525762
N-(1-adamantyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22525822

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine (CID 22525829) is 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine is O=[N+]([O-])c1c(NC2CCCC2)ncnc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
The InChIKey is WVMNVOIIQGNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-24(26)16-17(22-15-3-1-2-4-15)20-11-21-18(16)23-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H2,20,21,22,23).
What are the key properties of 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine?
4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)-6-N-cyclopentyl-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 22525829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).