2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol

C10H18N4O2 — CID 80797115

IUPAC2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(C)c(N(CCO)CCO)n1
InChIInChI=1S/C10H18N4O2/c1-8-7-12-10(11-2)13-9(8)14(3-5-15)4-6-16/h7,15-16H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUNYWSVZYALGLNT-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.38
Rot. Bonds6

About 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80797115) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80797115
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(C)c(N(CCO)CCO)n1
InChIInChI=1S/C10H18N4O2/c1-8-7-12-10(11-2)13-9(8)14(3-5-15)4-6-16/h7,15-16H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUNYWSVZYALGLNT-UHFFFAOYSA-N
XLogP-0.38
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80797115) is 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1ncc(C)c(N(CCO)CCO)n1.
What is the InChIKey of 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is UNYWSVZYALGLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8-7-12-10(11-2)13-9(8)14(3-5-15)4-6-16/h7,15-16H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 226.28 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80797115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).