6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine

C13H15ClN4 — CID 63021888

IUPAC6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
SMILESCCC(Nc1ncnc(Cl)c1N)c1ccccc1
InChIInChI=1S/C13H15ClN4/c1-2-10(9-6-4-3-5-7-9)18-13-11(15)12(14)16-8-17-13/h3-8,10H,2,15H2,1H3,(H,16,17,18)
InChIKeyXMTHURGESLOSEX-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.28
Rot. Bonds4

About 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine

6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine (PubChem CID 63021888) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
PubChem CID63021888
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
SMILESCCC(Nc1ncnc(Cl)c1N)c1ccccc1
InChIInChI=1S/C13H15ClN4/c1-2-10(9-6-4-3-5-7-9)18-13-11(15)12(14)16-8-17-13/h3-8,10H,2,15H2,1H3,(H,16,17,18)
InChIKeyXMTHURGESLOSEX-UHFFFAOYSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80821688
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
CID 62305245
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 56730297
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine (CID 63021888) is 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine is CCC(Nc1ncnc(Cl)c1N)c1ccccc1.
What is the InChIKey of 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The InChIKey is XMTHURGESLOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-10(9-6-4-3-5-7-9)18-13-11(15)12(14)16-8-17-13/h3-8,10H,2,15H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63021888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).