N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine

C9H15ClN4 — CID 105369023

IUPACN'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ncncc1Cl
InChIInChI=1S/C9H15ClN4/c1-11-4-3-5-14(2)9-8(10)6-12-7-13-9/h6-7,11H,3-5H2,1-2H3
InChIKeyDKCBBBCTRCHWJW-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.18
Rot. Bonds5

About N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine

N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 105369023) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID105369023
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC NameN'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1ncncc1Cl
InChIInChI=1S/C9H15ClN4/c1-11-4-3-5-14(2)9-8(10)6-12-7-13-9/h6-7,11H,3-5H2,1-2H3
InChIKeyDKCBBBCTRCHWJW-UHFFFAOYSA-N
XLogP1.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
CID 105370376
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 104606129
5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205369
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine (CID 105369023) is N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)c1ncncc1Cl.
What is the InChIKey of N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is DKCBBBCTRCHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-11-4-3-5-14(2)9-8(10)6-12-7-13-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine?
N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 105369023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).