2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one

C9H15N3O3 — CID 135459400

IUPAC2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(CCO)CCO)n1
InChIInChI=1S/C9H15N3O3/c1-7-6-8(15)11-9(10-7)12(2-4-13)3-5-14/h6,13-14H,2-5H2,1H3,(H,10,11,15)
InChIKeyZSFWKKWHJBHSTP-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.13
Rot. Bonds5

About 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one

2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459400) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135459400
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(CCO)CCO)n1
InChIInChI=1S/C9H15N3O3/c1-7-6-8(15)11-9(10-7)12(2-4-13)3-5-14/h6,13-14H,2-5H2,1H3,(H,10,11,15)
InChIKeyZSFWKKWHJBHSTP-UHFFFAOYSA-N
XLogP-1.13
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
CID 135448147
6-Methyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135418934
3-(2-Hydroxyethyl)-6-methyluracil
CID 2802244
2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(2-hydroxyethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388264
1-(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 819272
2-[(3-Hydroxypropyl)amino]-6-methylpyrimidin-4-ol
CID 135452324
2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4(3H)-one
CID 3505546
6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol
CID 135408994
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
CID 135451986
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135459400) is 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N(CCO)CCO)n1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZSFWKKWHJBHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7-6-8(15)11-9(10-7)12(2-4-13)3-5-14/h6,13-14H,2-5H2,1H3,(H,10,11,15).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one?
2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).