N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H27ClN4 — CID 80940887

IUPACN-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCc1nc(Cl)cc(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-6-7-14-18-13(16)10-15(19-14)17-8-9-20(11(2)3)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyVOGSAWQJEZBQOH-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.61
Rot. Bonds8

About N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 80940887) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID80940887
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCCc1nc(Cl)cc(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C15H27ClN4/c1-6-7-14-18-13(16)10-15(19-14)17-8-9-20(11(2)3)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,18,19)
InChIKeyVOGSAWQJEZBQOH-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
CID 114518283
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 80940887) is N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCCc1nc(Cl)cc(NCCN(C(C)C)C(C)C)n1.
What is the InChIKey of N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is VOGSAWQJEZBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-6-7-14-18-13(16)10-15(19-14)17-8-9-20(11(2)3)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 80940887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).