N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine

C13H17N5 — CID 72853608

IUPACN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine
SMILESCc1nccn1CC1(CNc2ccncn2)CC1
InChIInChI=1S/C13H17N5/c1-11-15-6-7-18(11)9-13(3-4-13)8-16-12-2-5-14-10-17-12/h2,5-7,10H,3-4,8-9H2,1H3,(H,14,16,17)
InChIKeyJXVJVBBBLXVHBD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine

N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine (PubChem CID 72853608) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine
PubChem CID72853608
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine
SMILESCc1nccn1CC1(CNc2ccncn2)CC1
InChIInChI=1S/C13H17N5/c1-11-15-6-7-18(11)9-13(3-4-13)8-16-12-2-5-14-10-17-12/h2,5-7,10H,3-4,8-9H2,1H3,(H,14,16,17)
InChIKeyJXVJVBBBLXVHBD-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine?
The IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine (CID 72853608) is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine?
The canonical SMILES for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine is Cc1nccn1CC1(CNc2ccncn2)CC1.
What is the InChIKey of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine?
The InChIKey is JXVJVBBBLXVHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-11-15-6-7-18(11)9-13(3-4-13)8-16-12-2-5-14-10-17-12/h2,5-7,10H,3-4,8-9H2,1H3,(H,14,16,17).
What are the key properties of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine?
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72853608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).