N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine

C9H11N5O — CID 66324984

IUPACN-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cnc[nH]2)ncn1
InChIInChI=1S/C9H11N5O/c1-15-9-2-8(13-6-14-9)11-4-7-3-10-5-12-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,11,13,14)
InChIKeyYKSFWTIJMFJFPZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.82
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine

N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine (PubChem CID 66324984) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine
PubChem CID66324984
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cnc[nH]2)ncn1
InChIInChI=1S/C9H11N5O/c1-15-9-2-8(13-6-14-9)11-4-7-3-10-5-12-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,11,13,14)
InChIKeyYKSFWTIJMFJFPZ-UHFFFAOYSA-N
XLogP0.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.82
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-methoxypyrimidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine (CID 66324984) is N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine is COc1cc(NCc2cnc[nH]2)ncn1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine?
The InChIKey is YKSFWTIJMFJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-9-2-8(13-6-14-9)11-4-7-3-10-5-12-7/h2-3,5-6H,4H2,1H3,(H,10,12)(H,11,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-6-methoxypyrimidin-4-amine has a molecular weight of 205.22 g/mol, XLogP of 0.82, 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-methoxypyrimidin-4-amine is sourced from PubChem (CID 66324984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).