1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C10H13N5O3 — CID 68578814

IUPAC1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1NCC1OCCO1
InChIInChI=1S/C10H13N5O3/c16-10-12-4-7-3-11-6-13-9(7)15(10)14-5-8-17-1-2-18-8/h3,6,8,14H,1-2,4-5H2,(H,12,16)
InChIKeyCHUSAVDNBBPWOF-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.62
Rot. Bonds3

About 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 68578814) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID68578814
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1NCC1OCCO1
InChIInChI=1S/C10H13N5O3/c16-10-12-4-7-3-11-6-13-9(7)15(10)14-5-8-17-1-2-18-8/h3,6,8,14H,1-2,4-5H2,(H,12,16)
InChIKeyCHUSAVDNBBPWOF-UHFFFAOYSA-N
XLogP-0.62
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 141035153
1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 57148006
1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 154506718
2-[(2R)-oxan-2-yl]-N-(4-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 97338410
7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 96629646
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168703676
7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 20613650
6,8,10,12,14,16,18,20-octazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene
CID 118011440
2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 86791415
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
CID 4311777

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 68578814) is 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is O=C1NCc2cncnc2N1NCC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is CHUSAVDNBBPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c16-10-12-4-7-3-11-6-13-9(7)15(10)14-5-8-17-1-2-18-8/h3,6,8,14H,1-2,4-5H2,(H,12,16).
What are the key properties of 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 251.25 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 68578814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).