2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one

C9H17N5O2 — CID 143725445

IUPAC2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCNCC(CO)Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16)
InChIKeyLUKLKYGSTOOJRT-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.35
Rot. Bonds5

About 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one

2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 143725445) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID143725445
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one
SMILESCNCC(CO)Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16)
InChIKeyLUKLKYGSTOOJRT-UHFFFAOYSA-N
XLogP-1.35
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Hydroxymethyl)tetrahydropterin
CID 135484783
2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 135510088
4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-(methoxymethyl)-
CID 135546356
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617
2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
CID 135626458
2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626459
2-Amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626463
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136176977
N-[2-amino-4-(4-hydroxybutylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136426067
(6R)-2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136473823
2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136638714
2-amino-6-(1-hydroxybutyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136967479

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one (CID 143725445) is 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one is CNCC(CO)Nc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LUKLKYGSTOOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16).
What are the key properties of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one?
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of -1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 143725445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).