6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine

C10H15N5O2 — CID 7067023

IUPAC6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C10H15N5O2/c1-7-3-2-4-14(5-7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyFMGIVLIHJCQPJM-SSDOTTSWSA-N
MW237.26 g/mol
LogP1.20
Rot. Bonds2

About 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine

6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine (PubChem CID 7067023) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
PubChem CID7067023
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C10H15N5O2/c1-7-3-2-4-14(5-7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyFMGIVLIHJCQPJM-SSDOTTSWSA-N
XLogP1.20
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
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

1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80806123
N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492021
5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 138511335
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491938
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491955
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
N-(3-methoxypropyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491898
4-(6-amino-5-nitropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887830
4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
CID 114044083
6-(3-morpholin-4-ylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80812097

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine (CID 7067023) is 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine is C[C@@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1.
What is the InChIKey of 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The InChIKey is FMGIVLIHJCQPJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-7-3-2-4-14(5-7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7067023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).