N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine

C10H13N5O — CID 66326124

IUPACN-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2cnc[nH]2)nc(C)n1
InChIInChI=1S/C10H13N5O/c1-7-14-9(3-10(15-7)16-2)12-5-8-4-11-6-13-8/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14,15)
InChIKeyNYIAQWRVLKMSFQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.13
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine

N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66326124) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66326124
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2cnc[nH]2)nc(C)n1
InChIInChI=1S/C10H13N5O/c1-7-14-9(3-10(15-7)16-2)12-5-8-4-11-6-13-8/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14,15)
InChIKeyNYIAQWRVLKMSFQ-UHFFFAOYSA-N
XLogP1.13
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine (CID 66326124) is N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCc2cnc[nH]2)nc(C)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is NYIAQWRVLKMSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-14-9(3-10(15-7)16-2)12-5-8-4-11-6-13-8/h3-4,6H,5H2,1-2H3,(H,11,13)(H,12,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 219.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).