2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one

C8H14N6O — CID 163124560

IUPAC2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCN1c2c(nc(N)[nH]c2=O)NCC1CN
InChIInChI=1S/C8H14N6O/c1-14-4(2-9)3-11-6-5(14)7(15)13-8(10)12-6/h4H,2-3,9H2,1H3,(H4,10,11,12,13,15)
InChIKeyCUBGPHYDHWCYED-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.46
Rot. Bonds1

About 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one

2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 163124560) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
PubChem CID163124560
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one
SMILESCN1c2c(nc(N)[nH]c2=O)NCC1CN
InChIInChI=1S/C8H14N6O/c1-14-4(2-9)3-11-6-5(14)7(15)13-8(10)12-6/h4H,2-3,9H2,1H3,(H4,10,11,12,13,15)
InChIKeyCUBGPHYDHWCYED-UHFFFAOYSA-N
XLogP-1.46
TPSA113.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-6-(aminomethyl)-1-methylpiperazine-2,3-dione
CID 66596527
(6aS)-3-amino-5,6,6a,7,8,9-hexahydro-2H-imidazo[1,5-f]pteridin-1-one
CID 135566759
(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
CID 135398561
calcium (2S)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino](1,2,3,4,5-13C5)pentanedioate
CID 136961198
(4S)-4-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate
CID 137292084
magnesium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;hydride
CID 175344556
disodium;(2R)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
CID 172897864
2-[[4-[2-(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
CID 135488934
lithium 4-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate
CID 175344552
magnesium bis((4S)-4-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate)
CID 137216662
calcium;(4S)-4-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate;chloride
CID 171482435
(2S)-2-[[(2S)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 136728644

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one (CID 163124560) is 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one is CN1c2c(nc(N)[nH]c2=O)NCC1CN.
What is the InChIKey of 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is CUBGPHYDHWCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c1-14-4(2-9)3-11-6-5(14)7(15)13-8(10)12-6/h4H,2-3,9H2,1H3,(H4,10,11,12,13,15).
What are the key properties of 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one?
2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 210.24 g/mol, XLogP of -1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(aminomethyl)-5-methyl-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 163124560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).