2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine

C10H13ClN4 — CID 142093152

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine
SMILESNC1CN=C(Cc2ccc(Cl)nc2)NC1
InChIInChI=1S/C10H13ClN4/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10/h1-2,4,8H,3,5-6,12H2,(H,14,15)
InChIKeyFTOOHNAXVAEOQO-UHFFFAOYSA-N
MW224.69 g/mol
LogP0.61
Rot. Bonds2

About 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine

2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine (PubChem CID 142093152) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine
PubChem CID142093152
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine
SMILESNC1CN=C(Cc2ccc(Cl)nc2)NC1
InChIInChI=1S/C10H13ClN4/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10/h1-2,4,8H,3,5-6,12H2,(H,14,15)
InChIKeyFTOOHNAXVAEOQO-UHFFFAOYSA-N
XLogP0.61
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine
CID 142093151
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
4-[(6-chloro-3-pyridinyl)methyl]-1,2-dihydropyrrole-5-thione
CID 18759785
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
1,3,5-tris[(6-chloro-3-pyridinyl)methyl]triazinane
CID 87655819
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
CID 141058722

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine (CID 142093152) is 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine is NC1CN=C(Cc2ccc(Cl)nc2)NC1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine?
The InChIKey is FTOOHNAXVAEOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10/h1-2,4,8H,3,5-6,12H2,(H,14,15).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine?
2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine has a molecular weight of 224.69 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine is sourced from PubChem (CID 142093152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).