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

C14H19N5 — CID 72909182

IUPAC5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCC2(Cn3ccnc3C)CC2)nc1
InChIInChI=1S/C14H19N5/c1-11-7-16-13(17-8-11)18-9-14(3-4-14)10-19-6-5-15-12(19)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18)
InChIKeyXUVROMOZHVLDTM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.18
Rot. Bonds5

About 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine

5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 72909182) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID72909182
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine
SMILESCc1cnc(NCC2(Cn3ccnc3C)CC2)nc1
InChIInChI=1S/C14H19N5/c1-11-7-16-13(17-8-11)18-9-14(3-4-14)10-19-6-5-15-12(19)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18)
InChIKeyXUVROMOZHVLDTM-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine (CID 72909182) is 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine is Cc1cnc(NCC2(Cn3ccnc3C)CC2)nc1.
What is the InChIKey of 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is XUVROMOZHVLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-7-16-13(17-8-11)18-9-14(3-4-14)10-19-6-5-15-12(19)2/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine?
5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72909182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).