N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

C13H22N4 — CID 90054668

IUPACN,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3
InChIKeyBGOROEKWRGCGHK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.43
Rot. Bonds3

About N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 90054668) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID90054668
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3
InChIKeyBGOROEKWRGCGHK-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 90054668) is N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is CN1CCCC(Cc2cc(N(C)C)ncn2)C1.
What is the InChIKey of N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is BGOROEKWRGCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 90054668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).