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

C9H11N5 — CID 107587844

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine
SMILESCc1[nH]cnc1CNc1cncnc1
InChIInChI=1S/C9H11N5/c1-7-9(14-6-13-7)4-12-8-2-10-5-11-3-8/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyIKGNALWVCKPZIS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

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

N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine (PubChem CID 107587844) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine
PubChem CID107587844
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine
SMILESCc1[nH]cnc1CNc1cncnc1
InChIInChI=1S/C9H11N5/c1-7-9(14-6-13-7)4-12-8-2-10-5-11-3-8/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKeyIKGNALWVCKPZIS-UHFFFAOYSA-N
XLogP1.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine (CID 107587844) is N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine is Cc1[nH]cnc1CNc1cncnc1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine?
The InChIKey is IKGNALWVCKPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-9(14-6-13-7)4-12-8-2-10-5-11-3-8/h2-3,5-6,12H,4H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine has a molecular weight of 189.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107587844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).