1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

C11H17N5O3 — CID 114953991

IUPAC1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-15(6-11(17)4-2-3-5-11)10-8(16(18)19)9(12)13-7-14-10/h7,17H,2-6H2,1H3,(H2,12,13,14)
InChIKeyJZDSMDUYKFJDJR-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.71
Rot. Bonds4

About 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953991) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953991
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-15(6-11(17)4-2-3-5-11)10-8(16(18)19)9(12)13-7-14-10/h7,17H,2-6H2,1H3,(H2,12,13,14)
InChIKeyJZDSMDUYKFJDJR-UHFFFAOYSA-N
XLogP0.71
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-[[(6-methoxy-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114952069
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 51045406
1-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826749
1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953995
4-N-(cyclopropylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80797881
4-N-methyl-5-nitro-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791146
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80839205
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
1-[(N-methyl-4-nitroanilino)methyl]cyclopentan-1-ol
CID 115868650
4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80815798
4-N-butan-2-yl-4-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80784628

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114953991) is 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is JZDSMDUYKFJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15(6-11(17)4-2-3-5-11)10-8(16(18)19)9(12)13-7-14-10/h7,17H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 267.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).