4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

C12H20ClN5 — CID 114087642

IUPAC4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCCC1CN(C)CCCN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-8-17(2)5-4-6-18(9)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyWDCLBYHLKIZEKG-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.63
Rot. Bonds2

About 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine

4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (PubChem CID 114087642) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
PubChem CID114087642
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
SMILESCCC1CN(C)CCCN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H20ClN5/c1-3-9-8-17(2)5-4-6-18(9)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16)
InChIKeyWDCLBYHLKIZEKG-UHFFFAOYSA-N
XLogP1.63
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-methylpyridin-3-amine
CID 114086197
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 114088533
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)aniline
CID 114086199
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726404
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-3-iodoaniline
CID 114086195
tert-butyl N-[[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397090
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
1-[(2,6-dichloro-3-pyridinyl)methyl]-2-ethyl-4-methyl-1,4-diazepane
CID 114086740
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine (CID 114087642) is 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is CCC1CN(C)CCCN1c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
The InChIKey is WDCLBYHLKIZEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-3-9-8-17(2)5-4-6-18(9)11-7-10(13)15-12(14)16-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine?
4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 114087642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).