N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C12H21ClN4 — CID 55231244

IUPACN'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)c1c(Cl)ncnc1N(C)CCN(C)C
InChIInChI=1S/C12H21ClN4/c1-9(2)10-11(13)14-8-15-12(10)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3
InChIKeyPYQJOMODOSFJOW-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.25
Rot. Bonds5

About N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 55231244) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID55231244
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(C)c1c(Cl)ncnc1N(C)CCN(C)C
InChIInChI=1S/C12H21ClN4/c1-9(2)10-11(13)14-8-15-12(10)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3
InChIKeyPYQJOMODOSFJOW-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 55231244) is N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CC(C)c1c(Cl)ncnc1N(C)CCN(C)C.
What is the InChIKey of N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is PYQJOMODOSFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-9(2)10-11(13)14-8-15-12(10)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 55231244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).