N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine

C9H14ClN3 — CID 130536221

IUPACN-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-7(2)13(3)6-8-4-5-11-9(10)12-8/h4-5,7H,6H2,1-3H3
InChIKeyKTRQLFJQVIBLLN-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.97
Rot. Bonds3

About N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine

N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine (PubChem CID 130536221) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine
PubChem CID130536221
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccnc(Cl)n1
InChIInChI=1S/C9H14ClN3/c1-7(2)13(3)6-8-4-5-11-9(10)12-8/h4-5,7H,6H2,1-3H3
InChIKeyKTRQLFJQVIBLLN-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2-chloropyrimidin-4-yl)methyl]pyrimidine
CID 167592887
2-chloro-4-(2-methylpropyl)pyrimidine;2,4-dichloropyrimidine
CID 158691450
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 112751145
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
N-methyl-6-[[methyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 79243333
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
CID 71641741
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-methylpropan-2-amine
CID 170352465
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
4-(2-bromoethyl)-2-chloropyrimidine
CID 174481493
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine (CID 130536221) is N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1ccnc(Cl)n1.
What is the InChIKey of N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is KTRQLFJQVIBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(2)13(3)6-8-4-5-11-9(10)12-8/h4-5,7H,6H2,1-3H3.
What are the key properties of N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine?
N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 199.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 130536221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).