N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H21ClN4 — CID 106615398

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1nc(C)cc(Cl)n1)CC1CCCN1
InChIInChI=1S/C13H21ClN4/c1-3-18(8-11-5-4-6-15-11)9-13-16-10(2)7-12(14)17-13/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyFYCOAGQDYRMHMS-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.01
Rot. Bonds5

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615398) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615398
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1nc(C)cc(Cl)n1)CC1CCCN1
InChIInChI=1S/C13H21ClN4/c1-3-18(8-11-5-4-6-15-11)9-13-16-10(2)7-12(14)17-13/h7,11,15H,3-6,8-9H2,1-2H3
InChIKeyFYCOAGQDYRMHMS-UHFFFAOYSA-N
XLogP2.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615575
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 80663064
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615398) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1nc(C)cc(Cl)n1)CC1CCCN1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is FYCOAGQDYRMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-3-18(8-11-5-4-6-15-11)9-13-16-10(2)7-12(14)17-13/h7,11,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).