5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine

C14H20N6 — CID 72936794

IUPAC5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1(Cn2ccnc2C)CC1
InChIInChI=1S/C14H20N6/c1-10-7-17-13(15)19-12(10)18-8-14(3-4-14)9-20-6-5-16-11(20)2/h5-7H,3-4,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyRPCKILYGVOMSBF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.76
Rot. Bonds5

About 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine

5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine (PubChem CID 72936794) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine
PubChem CID72936794
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1(Cn2ccnc2C)CC1
InChIInChI=1S/C14H20N6/c1-10-7-17-13(15)19-12(10)18-8-14(3-4-14)9-20-6-5-16-11(20)2/h5-7H,3-4,8-9H2,1-2H3,(H3,15,17,18,19)
InChIKeyRPCKILYGVOMSBF-UHFFFAOYSA-N
XLogP1.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine (CID 72936794) is 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC1(Cn2ccnc2C)CC1.
What is the InChIKey of 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RPCKILYGVOMSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-7-17-13(15)19-12(10)18-8-14(3-4-14)9-20-6-5-16-11(20)2/h5-7H,3-4,8-9H2,1-2H3,(H3,15,17,18,19).
What are the key properties of 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).