5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine

C12H19ClN4 — CID 106812270

IUPAC5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCC1(CNc2ncnc(N)c2Cl)CCCC1
InChIInChI=1S/C12H19ClN4/c1-2-12(5-3-4-6-12)7-15-11-9(13)10(14)16-8-17-11/h8H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyCGFWSSBPYSYQFY-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds4

About 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine (PubChem CID 106812270) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
PubChem CID106812270
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCC1(CNc2ncnc(N)c2Cl)CCCC1
InChIInChI=1S/C12H19ClN4/c1-2-12(5-3-4-6-12)7-15-11-9(13)10(14)16-8-17-11/h8H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyCGFWSSBPYSYQFY-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
CID 106812371
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine (CID 106812270) is 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine is CCC1(CNc2ncnc(N)c2Cl)CCCC1.
What is the InChIKey of 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is CGFWSSBPYSYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-2-12(5-3-4-6-12)7-15-11-9(13)10(14)16-8-17-11/h8H,2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 254.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106812270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).