N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine

C9H13N5O2 — CID 20545077

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine
SMILESCOc1ncnc(OC)c1NC1=NCCN1
InChIInChI=1S/C9H13N5O2/c1-15-7-6(8(16-2)13-5-12-7)14-9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyXJQJBDVUGVQFAK-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.14
Rot. Bonds3

About N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine (PubChem CID 20545077) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine
PubChem CID20545077
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine
SMILESCOc1ncnc(OC)c1NC1=NCCN1
InChIInChI=1S/C9H13N5O2/c1-15-7-6(8(16-2)13-5-12-7)14-9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyXJQJBDVUGVQFAK-UHFFFAOYSA-N
XLogP-0.14
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine (CID 20545077) is N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine is COc1ncnc(OC)c1NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine?
The InChIKey is XJQJBDVUGVQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-15-7-6(8(16-2)13-5-12-7)14-9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H2,10,11,14).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine has a molecular weight of 223.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4,6-dimethoxypyrimidin-5-amine is sourced from PubChem (CID 20545077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).