N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H25ClN4 — CID 80939645

IUPACN'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCc1nc(Cl)cc(N(CCC)CCN(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-5-7-13-16-12(15)11-14(17-13)19(8-6-2)10-9-18(3)4/h11H,5-10H2,1-4H3
InChIKeyOLVRVWZHQVZPJF-UHFFFAOYSA-N
MW284.84 g/mol
LogP2.86
Rot. Bonds8

About N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 80939645) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID80939645
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC NameN'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCc1nc(Cl)cc(N(CCC)CCN(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-5-7-13-16-12(15)11-14(17-13)19(8-6-2)10-9-18(3)4/h11H,5-10H2,1-4H3
InChIKeyOLVRVWZHQVZPJF-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
2-[(6-chloro-2-propylpyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80939213
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
6-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80940376
2-tert-butyl-6-chloro-N-ethyl-N-propylpyrimidin-4-amine
CID 80953542
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 80939645) is N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCc1nc(Cl)cc(N(CCC)CCN(C)C)n1.
What is the InChIKey of N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is OLVRVWZHQVZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-7-13-16-12(15)11-14(17-13)19(8-6-2)10-9-18(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 284.84 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 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-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 80939645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).