[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol

C10H15N5O3 — CID 47281088

IUPAC[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(CO)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c11-9-8(15(17)18)5-12-10(13-9)14-3-1-7(6-16)2-4-14/h5,7,16H,1-4,6H2,(H2,11,12,13)
InChIKeyJJEZYCNSRUWKNJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.18
Rot. Bonds3

About [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol

[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol (PubChem CID 47281088) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
PubChem CID47281088
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(CO)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c11-9-8(15(17)18)5-12-10(13-9)14-3-1-7(6-16)2-4-14/h5,7,16H,1-4,6H2,(H2,11,12,13)
InChIKeyJJEZYCNSRUWKNJ-UHFFFAOYSA-N
XLogP0.18
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.18
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

5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 47204491
[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504541
(2S)-1-(4-amino-5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059846
2-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 129378362
N-[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481384
1-(4-amino-5-nitropyrimidin-2-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277441
2-[4-(4-amino-5-nitropyrimidin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 60501112
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitropyrimidin-4-amine
CID 133363804
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133270087
2-[(2S)-2-benzylpyrrolidin-1-yl]-5-nitropyrimidin-4-amine
CID 97015315
5-nitro-2-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486624
2-(5-bromo-1,3-dihydroisoindol-2-yl)-5-nitropyrimidin-4-amine
CID 133471701

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol (CID 47281088) is [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol is Nc1nc(N2CCC(CO)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol?
The InChIKey is JJEZYCNSRUWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-9-8(15(17)18)5-12-10(13-9)14-3-1-7(6-16)2-4-14/h5,7,16H,1-4,6H2,(H2,11,12,13).
What are the key properties of [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol?
[1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol has a molecular weight of 253.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-5-nitropyrimidin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 47281088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).