N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C15H25ClN4O — CID 106193011

IUPACN-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCOc1c(Cl)ncnc1NCCCN(C)C1CCCCC1
InChIInChI=1S/C15H25ClN4O/c1-20(12-7-4-3-5-8-12)10-6-9-17-15-13(21-2)14(16)18-11-19-15/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKKXVZSDASODXDS-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.21
Rot. Bonds7

About N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 106193011) has the molecular formula C15H25ClN4O and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID106193011
Molecular FormulaC15H25ClN4O
Molecular Weight312.84 g/mol
Exact Mass312.17
IUPAC NameN-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCOc1c(Cl)ncnc1NCCCN(C)C1CCCCC1
InChIInChI=1S/C15H25ClN4O/c1-20(12-7-4-3-5-8-12)10-6-9-17-15-13(21-2)14(16)18-11-19-15/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyKKXVZSDASODXDS-UHFFFAOYSA-N
XLogP3.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
5-chloro-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136974275
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
CID 80515860
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 114156444
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
6-chloro-5-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 114516488
N-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593
6-chloro-5-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195121
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66325432

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 106193011) is N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is COc1c(Cl)ncnc1NCCCN(C)C1CCCCC1.
What is the InChIKey of N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is KKXVZSDASODXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-20(12-7-4-3-5-8-12)10-6-9-17-15-13(21-2)14(16)18-11-19-15/h11-12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 312.84 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 106193011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).