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

C10H14N4 — CID 114694662

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine
SMILESC1=C(CNc2ncccn2)CCNC1
InChIInChI=1S/C10H14N4/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-2,4-5,11H,3,6-8H2,(H,12,13,14)
InChIKeyWEGLUDMMTMKODX-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.81
Rot. Bonds3

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

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 114694662) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID114694662
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine
SMILESC1=C(CNc2ncccn2)CCNC1
InChIInChI=1S/C10H14N4/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-2,4-5,11H,3,6-8H2,(H,12,13,14)
InChIKeyWEGLUDMMTMKODX-UHFFFAOYSA-N
XLogP0.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.81
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

3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine
CID 114694552
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694669
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694448
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-2-amine
CID 114694580
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 114694489
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
5-bromo-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137011139
5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine
CID 114694684
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
6-ethoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694682
6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694686
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 114694391

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine (CID 114694662) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine is C1=C(CNc2ncccn2)CCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is WEGLUDMMTMKODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-2,4-5,11H,3,6-8H2,(H,12,13,14).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 190.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 114694662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).