N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine

C12H18Cl2N4 — CID 97164237

IUPACN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
SMILESCN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1
InChIInChI=1S/C12H18Cl2N4/c1-18(8-10-4-2-3-5-15-10)7-9-6-16-12(14)17-11(9)13/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyKFRRYNCONXUCSY-JTQLQIEISA-N
MW289.21 g/mol
LogP2.36
Rot. Bonds4

About N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine

N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine (PubChem CID 97164237) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
PubChem CID97164237
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC NameN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
SMILESCN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1
InChIInChI=1S/C12H18Cl2N4/c1-18(8-10-4-2-3-5-15-10)7-9-6-16-12(14)17-11(9)13/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyKFRRYNCONXUCSY-JTQLQIEISA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
CID 71643384
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine?
The IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine (CID 97164237) is N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine.
What is the SMILES notation for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine?
The canonical SMILES for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine is CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1.
What is the InChIKey of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine?
The InChIKey is KFRRYNCONXUCSY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18Cl2N4/c1-18(8-10-4-2-3-5-15-10)7-9-6-16-12(14)17-11(9)13/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine?
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine has a molecular weight of 289.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine is sourced from PubChem (CID 97164237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).