(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one

C15H24N6O3 — CID 11823900

IUPAC(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
SMILESC[C@@H](O)[C@@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O
InChIInChI=1S/C15H24N6O3/c1-10(22)11-15(23)20-12-13(17-9-18-14(12)19-11)16-3-2-4-21-5-7-24-8-6-21/h9-11,22H,2-8H2,1H3,(H,20,23)(H2,16,17,18,19)/t10-,11+/m1/s1
InChIKeyGPTDVDDIMRYYCO-MNOVXSKESA-N
MW336.40 g/mol
LogP-0.28
Rot. Bonds6

About (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one

(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 11823900) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
PubChem CID11823900
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
SMILESC[C@@H](O)[C@@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O
InChIInChI=1S/C15H24N6O3/c1-10(22)11-15(23)20-12-13(17-9-18-14(12)19-11)16-3-2-4-21-5-7-24-8-6-21/h9-11,22H,2-8H2,1H3,(H,20,23)(H2,16,17,18,19)/t10-,11+/m1/s1
InChIKeyGPTDVDDIMRYYCO-MNOVXSKESA-N
XLogP-0.28
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
CID 91962001
4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961610
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 23492249
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
CID 91961707
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487909

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one (CID 11823900) is (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one is C[C@@H](O)[C@@H]1Nc2ncnc(NCCCN3CCOCC3)c2NC1=O.
What is the InChIKey of (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is GPTDVDDIMRYYCO-MNOVXSKESA-N. The full InChI is InChI=1S/C15H24N6O3/c1-10(22)11-15(23)20-12-13(17-9-18-14(12)19-11)16-3-2-4-21-5-7-24-8-6-21/h9-11,22H,2-8H2,1H3,(H,20,23)(H2,16,17,18,19)/t10-,11+/m1/s1.
What are the key properties of (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 336.40 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 11823900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).