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

C11H18ClN5 — CID 142093151

IUPAC2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine
SMILESCN.NC1CN=C(Cc2ccc(Cl)nc2)NC1
InChIInChI=1S/C10H13ClN4.CH5N/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10;1-2/h1-2,4,8H,3,5-6,12H2,(H,14,15);2H2,1H3
InChIKeyIEOAYFQDFQCSCV-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.18
Rot. Bonds2

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

2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine (PubChem CID 142093151) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine
PubChem CID142093151
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine
SMILESCN.NC1CN=C(Cc2ccc(Cl)nc2)NC1
InChIInChI=1S/C10H13ClN4.CH5N/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10;1-2/h1-2,4,8H,3,5-6,12H2,(H,14,15);2H2,1H3
InChIKeyIEOAYFQDFQCSCV-UHFFFAOYSA-N
XLogP0.18
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine (CID 142093151) is 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine is CN.NC1CN=C(Cc2ccc(Cl)nc2)NC1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine?
The InChIKey is IEOAYFQDFQCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4.CH5N/c11-9-2-1-7(4-13-9)3-10-14-5-8(12)6-15-10;1-2/h1-2,4,8H,3,5-6,12H2,(H,14,15);2H2,1H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine?
2-[(6-chloro-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-amine;methanamine has a molecular weight of 255.75 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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;methanamine is sourced from PubChem (CID 142093151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).