4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one

C10H14N6O — CID 90456345

IUPAC4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one
SMILESCCCNc1ncc2[nH]c(=O)nc(NC)c2n1
InChIInChI=1S/C10H14N6O/c1-3-4-12-9-13-5-6-7(15-9)8(11-2)16-10(17)14-6/h5H,3-4H2,1-2H3,(H,12,13,15)(H2,11,14,16,17)
InChIKeyUKGIEMZWYFNMBK-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.58
Rot. Bonds4

About 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one

4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one (PubChem CID 90456345) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one
PubChem CID90456345
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one
SMILESCCCNc1ncc2[nH]c(=O)nc(NC)c2n1
InChIInChI=1S/C10H14N6O/c1-3-4-12-9-13-5-6-7(15-9)8(11-2)16-10(17)14-6/h5H,3-4H2,1-2H3,(H,12,13,15)(H2,11,14,16,17)
InChIKeyUKGIEMZWYFNMBK-UHFFFAOYSA-N
XLogP0.58
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one?
The IUPAC name of 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one (CID 90456345) is 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one is CCCNc1ncc2[nH]c(=O)nc(NC)c2n1.
What is the InChIKey of 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one?
The InChIKey is UKGIEMZWYFNMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-4-12-9-13-5-6-7(15-9)8(11-2)16-10(17)14-6/h5H,3-4H2,1-2H3,(H,12,13,15)(H2,11,14,16,17).
What are the key properties of 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one?
4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-6-(propylamino)-1H-pyrimido[5,4-d]pyrimidin-2-one is sourced from PubChem (CID 90456345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).