5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

C9H15N5O2 — CID 136706918

IUPAC5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2COCCN2)nc[nH]c1=O
InChIInChI=1S/C9H15N5O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4,10H2,(H2,12,13,14,15)
InChIKeyXFHYXHJVAMCMAA-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.25
Rot. Bonds3

About 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706918) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706918
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2COCCN2)nc[nH]c1=O
InChIInChI=1S/C9H15N5O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4,10H2,(H2,12,13,14,15)
InChIKeyXFHYXHJVAMCMAA-UHFFFAOYSA-N
XLogP-1.25
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998861
2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998863
2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998867
4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-(methoxymethyl)-
CID 135546356
2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135546359
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617
2-amino-6-(propan-2-yloxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674619
(+-)-2-Amino-5,6,7,8-tetrahydro-6-n-butoxymethyl-4(3H)-pteridinone
CID 135833480
2-Amino-5,6,7,8-tetrahydro-6-[(2-methoxyethoxy)methyl]-4(3H)-pteridinone
CID 135998856
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135998865
4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135850746
2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135850748

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706918) is 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is Nc1c(NCC2COCCN2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is XFHYXHJVAMCMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4,10H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).