6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine

C14H21ClN4O — CID 82459433

IUPAC6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NCCC2=CCCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-20-9-11-18-13(15)12(16)14(19-11)17-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9,16H2,1H3,(H,17,18,19)
InChIKeyYULHVIGPQDJRCC-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.16
Rot. Bonds6

About 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine

6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine (PubChem CID 82459433) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
PubChem CID82459433
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(Cl)c(N)c(NCCC2=CCCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-20-9-11-18-13(15)12(16)14(19-11)17-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9,16H2,1H3,(H,17,18,19)
InChIKeyYULHVIGPQDJRCC-UHFFFAOYSA-N
XLogP3.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
CID 103606961
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19143643
dimethyl 5-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547619
2-[2-(cyclohexen-1-yl)ethylamino]-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91915939
1-(methoxymethyl)cycloheptene
CID 66889077
N-[2-(cyclohexen-1-yl)ethyl]-3,5,6-trifluoropyridin-2-amine
CID 106193803

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine (CID 82459433) is 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine is COCc1nc(Cl)c(N)c(NCCC2=CCCCC2)n1.
What is the InChIKey of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine?
The InChIKey is YULHVIGPQDJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-20-9-11-18-13(15)12(16)14(19-11)17-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9,16H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine has a molecular weight of 296.80 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).