6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine

C15H26ClN3 — CID 80939424

IUPAC6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-7-14-17-13(16)8-15(18-14)19(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyJVBQSQMUTFWZNK-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.20
Rot. Bonds7

About 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine

6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine (PubChem CID 80939424) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
PubChem CID80939424
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H26ClN3/c1-6-7-14-17-13(16)8-15(18-14)19(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyJVBQSQMUTFWZNK-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954728
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80940376
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80940880
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine (CID 80939424) is 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine?
The InChIKey is JVBQSQMUTFWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-6-7-14-17-13(16)8-15(18-14)19(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3.
What are the key properties of 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine?
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine has a molecular weight of 283.85 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).