8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione

C10H15N5O3 — CID 6928527

IUPAC8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
SMILESC[C@H](O)CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O3/c1-5(16)4-11-9-12-6-7(13-9)14(2)10(18)15(3)8(6)17/h5,16H,4H2,1-3H3,(H2,11,12,13)/t5-/m0/s1
InChIKeyCYEDVASDKZGDSY-YFKPBYRVSA-N
MW253.26 g/mol
LogP-1.25
Rot. Bonds3

About 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione

8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 6928527) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID6928527
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
SMILESC[C@H](O)CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O3/c1-5(16)4-11-9-12-6-7(13-9)14(2)10(18)15(3)8(6)17/h5,16H,4H2,1-3H3,(H2,11,12,13)/t5-/m0/s1
InChIKeyCYEDVASDKZGDSY-YFKPBYRVSA-N
XLogP-1.25
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61043557
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
1,3-dimethyl-8-(3-methylpentan-2-ylamino)-7H-purine-2,6-dione
CID 61463587
8-(5-aminopentylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 107323631
8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione
CID 30049858
1,3-dimethyl-8-(pent-1-yn-3-ylamino)-7H-purine-2,6-dione
CID 106231256
1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-7H-purine-2,6-dione
CID 61003885
8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 1493329
1,3-dimethyl-8-(oxan-4-ylmethylamino)-7H-purine-2,6-dione
CID 63711378
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl 4-fluorobenzoate
CID 4979738
1,3-dimethyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione
CID 1493334

Frequently Asked Questions

What is the IUPAC name of 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione (CID 6928527) is 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione is C[C@H](O)CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is CYEDVASDKZGDSY-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-5(16)4-11-9-12-6-7(13-9)14(2)10(18)15(3)8(6)17/h5,16H,4H2,1-3H3,(H2,11,12,13)/t5-/m0/s1.
What are the key properties of 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione?
8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 6928527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).