2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one

C8H10N6O — CID 135403641

IUPAC2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Cn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C8H10N6O/c9-6-5(3-14-2-1-11-4-14)7(15)13-8(10)12-6/h1-2,4H,3H2,(H5,9,10,12,13,15)
InChIKeyNVBKABPAJGUMCE-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.82
Rot. Bonds2

About 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one

2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135403641) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135403641
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one
SMILESNc1nc(N)c(Cn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C8H10N6O/c9-6-5(3-14-2-1-11-4-14)7(15)13-8(10)12-6/h1-2,4H,3H2,(H5,9,10,12,13,15)
InChIKeyNVBKABPAJGUMCE-UHFFFAOYSA-N
XLogP-0.82
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one (CID 135403641) is 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one is Nc1nc(N)c(Cn2ccnc2)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is NVBKABPAJGUMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-6-5(3-14-2-1-11-4-14)7(15)13-8(10)12-6/h1-2,4H,3H2,(H5,9,10,12,13,15).
What are the key properties of 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one?
2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 206.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(imidazol-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135403641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).