4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine

C16H20N4O — CID 74233802

IUPAC4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOC(C)c1cccc(-c2cc(NC3CC3)nc(N)n2)c1
InChIInChI=1S/C16H20N4O/c1-10(21-2)11-4-3-5-12(8-11)14-9-15(18-13-6-7-13)20-16(17)19-14/h3-5,8-10,13H,6-7H2,1-2H3,(H3,17,18,19,20)
InChIKeyYHPIEPOFKKUDOP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds5

About 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 74233802) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID74233802
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOC(C)c1cccc(-c2cc(NC3CC3)nc(N)n2)c1
InChIInChI=1S/C16H20N4O/c1-10(21-2)11-4-3-5-12(8-11)14-9-15(18-13-6-7-13)20-16(17)19-14/h3-5,8-10,13H,6-7H2,1-2H3,(H3,17,18,19,20)
InChIKeyYHPIEPOFKKUDOP-UHFFFAOYSA-N
XLogP3.01
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]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-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
(16E)-14-methyl-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 56946378
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
2-[[6-(3-Methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204529
1-[2-Amino-4-(butylamino)quinazolin-6-yl]ethanol
CID 71470317
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-propan-2-ylpyrimidin-2-amine
CID 68325419
4-methyl-N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 68325443
5-cyclopropyl-N-[2-methyl-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325457
5-cyclopropyl-N-(2-methyl-4-morpholin-2-ylphenyl)pyrimidin-2-amine
CID 68325459
5-cyclopropyl-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325507

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine (CID 74233802) is 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine is COC(C)c1cccc(-c2cc(NC3CC3)nc(N)n2)c1.
What is the InChIKey of 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is YHPIEPOFKKUDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(21-2)11-4-3-5-12(8-11)14-9-15(18-13-6-7-13)20-16(17)19-14/h3-5,8-10,13H,6-7H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 284.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[3-(1-methoxyethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 74233802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).