(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one

C11H17N7O2 — CID 909994

IUPAC(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one
SMILESCOc1nc(NC(C)C)nc(N2C(N)=NC(=O)[C@H]2C)n1
InChIInChI=1S/C11H17N7O2/c1-5(2)13-9-15-10(17-11(16-9)20-4)18-6(3)7(19)14-8(18)12/h5-6H,1-4H3,(H2,12,14,19)(H,13,15,16,17)/t6-/m1/s1
InChIKeyFURHBATUVPUWGU-ZCFIWIBFSA-N
MW279.30 g/mol
LogP-0.25
Rot. Bonds4

About (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one

(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one (PubChem CID 909994) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one
PubChem CID909994
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one
SMILESCOc1nc(NC(C)C)nc(N2C(N)=NC(=O)[C@H]2C)n1
InChIInChI=1S/C11H17N7O2/c1-5(2)13-9-15-10(17-11(16-9)20-4)18-6(3)7(19)14-8(18)12/h5-6H,1-4H3,(H2,12,14,19)(H,13,15,16,17)/t6-/m1/s1
InChIKeyFURHBATUVPUWGU-ZCFIWIBFSA-N
XLogP-0.25
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one (CID 909994) is (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one is COc1nc(NC(C)C)nc(N2C(N)=NC(=O)[C@H]2C)n1.
What is the InChIKey of (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one?
The InChIKey is FURHBATUVPUWGU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-5(2)13-9-15-10(17-11(16-9)20-4)18-6(3)7(19)14-8(18)12/h5-6H,1-4H3,(H2,12,14,19)(H,13,15,16,17)/t6-/m1/s1.
What are the key properties of (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one?
(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one has a molecular weight of 279.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one is sourced from PubChem (CID 909994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).