N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H25ClN4 — CID 55231599

IUPACN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-9(2)19(10(3)4)8-7-16-14-11(5)13(15)17-12(6)18-14/h9-10H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyYIVRJLMNOIWHFT-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.28
Rot. Bonds6

About N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 55231599) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID55231599
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC NameN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(NCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C14H25ClN4/c1-9(2)19(10(3)4)8-7-16-14-11(5)13(15)17-12(6)18-14/h9-10H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyYIVRJLMNOIWHFT-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 55231599) is N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is Cc1nc(Cl)c(C)c(NCCN(C(C)C)C(C)C)n1.
What is the InChIKey of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is YIVRJLMNOIWHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-9(2)19(10(3)4)8-7-16-14-11(5)13(15)17-12(6)18-14/h9-10H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55231599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).