N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine

C13H18N4 — CID 106583378

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1ccncc1CNc1nccn1C(C)C
InChIInChI=1S/C13H18N4/c1-10(2)17-7-6-15-13(17)16-9-12-8-14-5-4-11(12)3/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyWPBCDQHHPOGSEJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine

N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine (PubChem CID 106583378) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
PubChem CID106583378
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1ccncc1CNc1nccn1C(C)C
InChIInChI=1S/C13H18N4/c1-10(2)17-7-6-15-13(17)16-9-12-8-14-5-4-11(12)3/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyWPBCDQHHPOGSEJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
CID 106583359
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106569695
N-methyl-1-[(4-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106583356
6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114957948
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956895

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine (CID 106583378) is N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine is Cc1ccncc1CNc1nccn1C(C)C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine?
The InChIKey is WPBCDQHHPOGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)17-7-6-15-13(17)16-9-12-8-14-5-4-11(12)3/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106583378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).