(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one

C10H17N5O3 — CID 137103756

IUPAC(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one
SMILESC[C@H](O)[C@H](O)[C@@]1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O3/c1-4(16)6(17)10(2)3-12-7-5(15-10)8(18)14-9(11)13-7/h4,6,15-17H,3H2,1-2H3,(H4,11,12,13,14,18)/t4-,6-,10+/m0/s1
InChIKeyZXWOUECXXOIJEE-DMXGEVFUSA-N
MW255.28 g/mol
LogP-1.31
Rot. Bonds2

About (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one

(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one (PubChem CID 137103756) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one
PubChem CID137103756
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one
SMILESC[C@H](O)[C@H](O)[C@@]1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O3/c1-4(16)6(17)10(2)3-12-7-5(15-10)8(18)14-9(11)13-7/h4,6,15-17H,3H2,1-2H3,(H4,11,12,13,14,18)/t4-,6-,10+/m0/s1
InChIKeyZXWOUECXXOIJEE-DMXGEVFUSA-N
XLogP-1.31
TPSA136.29 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one (CID 137103756) is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The canonical SMILES for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one is C[C@H](O)[C@H](O)[C@@]1(C)CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The InChIKey is ZXWOUECXXOIJEE-DMXGEVFUSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-4(16)6(17)10(2)3-12-7-5(15-10)8(18)14-9(11)13-7/h4,6,15-17H,3H2,1-2H3,(H4,11,12,13,14,18)/t4-,6-,10+/m0/s1.
What are the key properties of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one has a molecular weight of 255.28 g/mol, XLogP of -1.31, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 137103756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).