1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane

C10H15ClN4 — CID 62343451

IUPAC1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)9-3-4-12-10(11)13-9/h3-4H,2,5-8H2,1H3
InChIKeyIFUOLJRTOQCQRN-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.27
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane

1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane (PubChem CID 62343451) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
PubChem CID62343451
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)9-3-4-12-10(11)13-9/h3-4H,2,5-8H2,1H3
InChIKeyIFUOLJRTOQCQRN-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane (CID 62343451) is 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane is CN1CCCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane?
The InChIKey is IFUOLJRTOQCQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)9-3-4-12-10(11)13-9/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane?
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane has a molecular weight of 226.71 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 62343451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).