N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine

C15H26N4 — CID 54939100

IUPACN'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(CCCN)C2CCCCC2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-12-11-15(18-13(2)17-12)19(10-6-9-16)14-7-4-3-5-8-14/h11,14H,3-10,16H2,1-2H3
InChIKeyYSXALCNXPDWWTR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine

N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 54939100) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID54939100
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(CCCN)C2CCCCC2)nc(C)n1
InChIInChI=1S/C15H26N4/c1-12-11-15(18-13(2)17-12)19(10-6-9-16)14-7-4-3-5-8-14/h11,14H,3-10,16H2,1-2H3
InChIKeyYSXALCNXPDWWTR-UHFFFAOYSA-N
XLogP2.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-aminopyrimidine
CID 68039
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine (CID 54939100) is N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine is Cc1cc(N(CCCN)C2CCCCC2)nc(C)n1.
What is the InChIKey of N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is YSXALCNXPDWWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-11-15(18-13(2)17-12)19(10-6-9-16)14-7-4-3-5-8-14/h11,14H,3-10,16H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 54939100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).