4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine

C12H21ClN4 — CID 80735715

IUPAC4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
SMILESCCCCN(c1cc(Cl)nc(N)n1)C(C)CC
InChIInChI=1S/C12H21ClN4/c1-4-6-7-17(9(3)5-2)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyIGPVGRDLVRXIKV-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.12
Rot. Bonds6

About 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine

4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine (PubChem CID 80735715) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
PubChem CID80735715
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine
SMILESCCCCN(c1cc(Cl)nc(N)n1)C(C)CC
InChIInChI=1S/C12H21ClN4/c1-4-6-7-17(9(3)5-2)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyIGPVGRDLVRXIKV-UHFFFAOYSA-N
XLogP3.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-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

N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80953088
2-N-butan-2-yl-2-N-butylpyrazine-2,6-diamine
CID 80647917
N-butan-2-yl-N-butyl-5-chloro-6-(chloromethyl)pyridin-2-amine
CID 55197665
3-[(2-amino-6-chloropyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80735514
N-butan-2-yl-N-butyl-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761856
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
4-N-butan-2-yl-4-N-butyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934873
2-N-butan-2-yl-2-N-butyl-6-ethoxypyridine-2,5-diamine
CID 63406023
4-N-butan-2-yl-4-N-butyl-5-chloropyridine-3,4-diamine
CID 114285848
6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
CID 80735508
6-chloro-4-N,4-N-bis(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 82961160
2-bromo-1-N-butan-2-yl-1-N-butylbenzene-1,4-diamine
CID 63406245

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine (CID 80735715) is 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine is CCCCN(c1cc(Cl)nc(N)n1)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine?
The InChIKey is IGPVGRDLVRXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-4-6-7-17(9(3)5-2)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine?
4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-butyl-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 80735715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).