2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one

C13H22N6O2 — CID 135403643

IUPAC2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(CCCN1CCOCC1)CN2
InChIInChI=1S/C13H22N6O2/c14-13-16-11-10(12(20)17-13)8-19(9-15-11)3-1-2-18-4-6-21-7-5-18/h1-9H2,(H4,14,15,16,17,20)
InChIKeyMSLRFMDLSHJTEO-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.74
Rot. Bonds4

About 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one

2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one (PubChem CID 135403643) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
PubChem CID135403643
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(CCCN1CCOCC1)CN2
InChIInChI=1S/C13H22N6O2/c14-13-16-11-10(12(20)17-13)8-19(9-15-11)3-1-2-18-4-6-21-7-5-18/h1-9H2,(H4,14,15,16,17,20)
InChIKeyMSLRFMDLSHJTEO-UHFFFAOYSA-N
XLogP-0.74
TPSA99.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one with MolForge

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Related Compounds

2-Amino-6-[2-(2-ethoxyethoxy)ethyl]-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one
CID 135454025
2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135880370
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 71220711
6-Amino-5-methyl-2-morpholinopyrimidin-4(3h)-one
CID 136077725
5-(aminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 33741948
3-Methyl-2-morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619774
5-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 114206242
2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206299
2-Morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578169
6-Amino-5-ethyl-2-morpholinopyrimidin-4(3h)-one
CID 136077834
4-amino-2-morpholin-4-yl-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136261184
2-Morpholino-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136314510

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one (CID 135403643) is 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(CCCN1CCOCC1)CN2.
What is the InChIKey of 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
The InChIKey is MSLRFMDLSHJTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c14-13-16-11-10(12(20)17-13)8-19(9-15-11)3-1-2-18-4-6-21-7-5-18/h1-9H2,(H4,14,15,16,17,20).
What are the key properties of 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one?
2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one has a molecular weight of 294.36 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-morpholin-4-ylpropyl)-3,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-one is sourced from PubChem (CID 135403643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).