2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C9H15ClN4 — CID 82937690

IUPAC2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-7(6-14(2)3)13-9-11-4-8(10)5-12-9/h4-5,7H,6H2,1-3H3,(H,11,12,13)
InChIKeyDYHDANSJCYPLBU-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.49
Rot. Bonds4

About 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82937690) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82937690
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-7(6-14(2)3)13-9-11-4-8(10)5-12-9/h4-5,7H,6H2,1-3H3,(H,11,12,13)
InChIKeyDYHDANSJCYPLBU-UHFFFAOYSA-N
XLogP1.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
2-N-(4,6-dichloro-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950213
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
CID 115674175
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
5-chloro-N-(3-methyl-3-phenylbutan-2-yl)pyrimidin-2-amine
CID 133349967
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
CID 130892533
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82937690) is 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1ncc(Cl)cn1.
What is the InChIKey of 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is DYHDANSJCYPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-7(6-14(2)3)13-9-11-4-8(10)5-12-9/h4-5,7H,6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82937690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).