2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine

C11H16N4 — CID 114694448

IUPAC2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCC2=CCNCC2)n1
InChIInChI=1S/C11H16N4/c1-9-13-7-4-11(15-9)14-8-10-2-5-12-6-3-10/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyVAZFUXICWOPHJC-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 114694448) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID114694448
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCC2=CCNCC2)n1
InChIInChI=1S/C11H16N4/c1-9-13-7-4-11(15-9)14-8-10-2-5-12-6-3-10/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyVAZFUXICWOPHJC-UHFFFAOYSA-N
XLogP1.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694682
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine
CID 114694662
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
CID 114694580
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 114694489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine (CID 114694448) is 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine is Cc1nccc(NCC2=CCNCC2)n1.
What is the InChIKey of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is VAZFUXICWOPHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-9-13-7-4-11(15-9)14-8-10-2-5-12-6-3-10/h2,4,7,12H,3,5-6,8H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114694448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).