4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol

C11H19N5O3 — CID 106358076

IUPAC4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncc([N+](=O)[O-])c(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-7(2)8(4-5-17)14-10-9(16(18)19)6-13-11(12-3)15-10/h6-8,17H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyRJRGXJIMPFTDRN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.25
Rot. Bonds7

About 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol

4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 106358076) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol
PubChem CID106358076
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1ncc([N+](=O)[O-])c(NC(CCO)C(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-7(2)8(4-5-17)14-10-9(16(18)19)6-13-11(12-3)15-10/h6-8,17H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyRJRGXJIMPFTDRN-UHFFFAOYSA-N
XLogP1.25
TPSA113.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.25
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'}

Analyze 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

2-[(2-amino-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045446
3-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]butan-1-ol
CID 114045405
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-(2,4-dinitroanilino)-4-methylpentan-1-ol
CID 103696574
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
4-methyl-3-[(8-nitroisoquinolin-5-yl)amino]pentan-1-ol
CID 103696573
4-methyl-3-(3-methyl-4-nitroanilino)pentan-1-ol
CID 103696584
4-methyl-3-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]pentan-1-ol
CID 106350500
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol (CID 106358076) is 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol is CNc1ncc([N+](=O)[O-])c(NC(CCO)C(C)C)n1.
What is the InChIKey of 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is RJRGXJIMPFTDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-7(2)8(4-5-17)14-10-9(16(18)19)6-13-11(12-3)15-10/h6-8,17H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol?
4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 106358076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).