5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

C11H21N5O — CID 136870184

IUPAC5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCCC(C)N(C)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-4-8(2)16(3)6-5-13-10-9(12)11(17)15-7-14-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,17)
InChIKeyBZEDDTRKSWFAQX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.49
Rot. Bonds6

About 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136870184) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
PubChem CID136870184
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCCC(C)N(C)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-4-8(2)16(3)6-5-13-10-9(12)11(17)15-7-14-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,17)
InChIKeyBZEDDTRKSWFAQX-UHFFFAOYSA-N
XLogP0.49
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447
5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
(6r)-2-Amino-6-Methyl-5,6,7,8-Tetrahydropteridin-4(3h)-One
CID 135564796

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (CID 136870184) is 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is CCC(C)N(C)CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BZEDDTRKSWFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-8(2)16(3)6-5-13-10-9(12)11(17)15-7-14-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[butan-2-yl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).