1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol

C11H19N5O3 — CID 106296268

IUPAC1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-4-5-11(3,17)6-13-9-8(16(18)19)7(2)14-10(12)15-9/h17H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeySHMJXATWLGJUMV-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.24
Rot. Bonds6

About 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106296268) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106296268
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(N)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H19N5O3/c1-4-5-11(3,17)6-13-9-8(16(18)19)7(2)14-10(12)15-9/h17H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeySHMJXATWLGJUMV-UHFFFAOYSA-N
XLogP1.24
TPSA127.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257823
4-N-hexyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044764
4-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045293
2-methyl-1-[[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-ol
CID 106248958
6-methyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106411590
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol
CID 113434416
4-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044198
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
1-(3,5-difluoro-2-nitroanilino)-2-methylpentan-2-ol
CID 106290675
3-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198575
1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296289

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106296268) is 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(N)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is SHMJXATWLGJUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-5-11(3,17)6-13-9-8(16(18)19)7(2)14-10(12)15-9/h17H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 269.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).