6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

C12H15N5 — CID 138038004

IUPAC6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(C3CC3)ncn2)[nH]1
InChIInChI=1S/C12H15N5/c1-8-5-13-12(17-8)6-14-11-4-10(9-2-3-9)15-7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyUIKAIYPKVARNBE-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.00
Rot. Bonds4

About 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 138038004) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID138038004
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(C3CC3)ncn2)[nH]1
InChIInChI=1S/C12H15N5/c1-8-5-13-12(17-8)6-14-11-4-10(9-2-3-9)15-7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyUIKAIYPKVARNBE-UHFFFAOYSA-N
XLogP2.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (CID 138038004) is 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(C3CC3)ncn2)[nH]1.
What is the InChIKey of 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is UIKAIYPKVARNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-5-13-12(17-8)6-14-11-4-10(9-2-3-9)15-7-16-11/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 138038004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).