6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

C12H14ClN5O — CID 46576633

IUPAC6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ncccc1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H14ClN5O/c1-2-19-11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,2,7H2,1H3,(H3,14,16,17,18)
InChIKeyMIGFVEHHPUDSKD-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.12
Rot. Bonds5

About 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 46576633) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID46576633
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ncccc1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C12H14ClN5O/c1-2-19-11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,2,7H2,1H3,(H3,14,16,17,18)
InChIKeyMIGFVEHHPUDSKD-UHFFFAOYSA-N
XLogP2.12
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 47280536
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
N-[(2-ethoxy-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969710
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
N-[(2-ethoxy-3-pyridinyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 47053568
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 47280465
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 46576633) is 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is CCOc1ncccc1CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MIGFVEHHPUDSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-19-11-8(4-3-5-15-11)7-16-10-6-9(13)17-12(14)18-10/h3-6H,2,7H2,1H3,(H3,14,16,17,18).
What are the key properties of 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46576633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).