4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine

C16H18Cl2N4 — CID 62705821

IUPAC4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESCC[C@H](Nc1ncnc(-c2ccc(Cl)cc2Cl)c1N)C1CC1
InChIInChI=1S/C16H18Cl2N4/c1-2-13(9-3-4-9)22-16-14(19)15(20-8-21-16)11-6-5-10(17)7-12(11)18/h5-9,13H,2-4,19H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyRWGJPCULZAYLQO-ZDUSSCGKSA-N
MW337.25 g/mol
LogP4.63
Rot. Bonds5

About 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine

4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine (PubChem CID 62705821) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
PubChem CID62705821
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC Name4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
SMILESCC[C@H](Nc1ncnc(-c2ccc(Cl)cc2Cl)c1N)C1CC1
InChIInChI=1S/C16H18Cl2N4/c1-2-13(9-3-4-9)22-16-14(19)15(20-8-21-16)11-6-5-10(17)7-12(11)18/h5-9,13H,2-4,19H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyRWGJPCULZAYLQO-ZDUSSCGKSA-N
XLogP4.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dichlorophenyl)-4-N-heptan-3-ylpyrimidine-4,5-diamine
CID 22951024
N-[(1S)-1-cyclopropylpropyl]-4-(2,4-dichlorophenyl)-3-nitropyridin-2-amine
CID 62705475
N-(1-cyclopropylpropyl)-3-(2,4-dichlorophenyl)-5-methyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 18505006
2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
CID 130751690
4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 62705479
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine
CID 22052220
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 19374852
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23068437
2-N-(1-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 127002152
N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
CID 105370003
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine (CID 62705821) is 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine is CC[C@H](Nc1ncnc(-c2ccc(Cl)cc2Cl)c1N)C1CC1.
What is the InChIKey of 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
The InChIKey is RWGJPCULZAYLQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-2-13(9-3-4-9)22-16-14(19)15(20-8-21-16)11-6-5-10(17)7-12(11)18/h5-9,13H,2-4,19H2,1H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine?
4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine has a molecular weight of 337.25 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-1-cyclopropylpropyl]-6-(2,4-dichlorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 62705821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).