N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

C13H18N4 — CID 62208367

IUPACN-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1ccc(Cn2ccnc2C(C)C)cn1
InChIInChI=1S/C13H18N4/c1-10(2)13-15-6-7-17(13)9-11-4-5-12(14-3)16-8-11/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyPQQHEHQFYPNOBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine

N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62208367) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID62208367
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1ccc(Cn2ccnc2C(C)C)cn1
InChIInChI=1S/C13H18N4/c1-10(2)13-15-6-7-17(13)9-11-4-5-12(14-3)16-8-11/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyPQQHEHQFYPNOBI-UHFFFAOYSA-N
XLogP2.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine (CID 62208367) is N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is CNc1ccc(Cn2ccnc2C(C)C)cn1.
What is the InChIKey of N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is PQQHEHQFYPNOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)13-15-6-7-17(13)9-11-4-5-12(14-3)16-8-11/h4-8,10H,9H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine?
N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62208367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).