5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one

C11H17N5O3 — CID 136976891

IUPAC5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC(=O)N2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N5O3/c12-9-10(14-7-15-11(9)18)13-2-1-8(17)16-3-5-19-6-4-16/h7H,1-6,12H2,(H2,13,14,15,18)
InChIKeyYNHPVUCUWWYRSF-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.99
Rot. Bonds4

About 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136976891) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one
PubChem CID136976891
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NCCC(=O)N2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N5O3/c12-9-10(14-7-15-11(9)18)13-2-1-8(17)16-3-5-19-6-4-16/h7H,1-6,12H2,(H2,13,14,15,18)
InChIKeyYNHPVUCUWWYRSF-UHFFFAOYSA-N
XLogP-0.99
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 136393190
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 136477485
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 136477499
N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849732
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
CID 135697216
4-(3-morpholin-4-ylpropylamino)-5-nitro-1H-pyrimidin-6-one
CID 135765617
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
5-amino-4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783272
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one (CID 136976891) is 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one is Nc1c(NCCC(=O)N2CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YNHPVUCUWWYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c12-9-10(14-7-15-11(9)18)13-2-1-8(17)16-3-5-19-6-4-16/h7H,1-6,12H2,(H2,13,14,15,18).
What are the key properties of 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 267.29 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).