N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine

C12H20N4 — CID 106622951

IUPACN-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncn1)CC1CCCCN1
InChIInChI=1S/C12H20N4/c1-16(8-11-4-2-3-6-14-11)9-12-5-7-13-10-15-12/h5,7,10-11,14H,2-4,6,8-9H2,1H3
InChIKeyIVXYXDQCAPGYTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds4

About N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine

N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine (PubChem CID 106622951) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
PubChem CID106622951
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
SMILESCN(Cc1ccncn1)CC1CCCCN1
InChIInChI=1S/C12H20N4/c1-16(8-11-4-2-3-6-14-11)9-12-5-7-13-10-15-12/h5,7,10-11,14H,2-4,6,8-9H2,1H3
InChIKeyIVXYXDQCAPGYTP-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-piperidin-2-ylmethanamine;hydrochloride
CID 71643384
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine (CID 106622951) is N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine is CN(Cc1ccncn1)CC1CCCCN1.
What is the InChIKey of N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine?
The InChIKey is IVXYXDQCAPGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16(8-11-4-2-3-6-14-11)9-12-5-7-13-10-15-12/h5,7,10-11,14H,2-4,6,8-9H2,1H3.
What are the key properties of N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine?
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine is sourced from PubChem (CID 106622951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).