2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C12H21ClN4O4 — CID 10426184

IUPAC2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1cc(Cl)nc(N(CCO)CCO)n1
InChIInChI=1S/C12H21ClN4O4/c13-10-9-11(16(1-5-18)2-6-19)15-12(14-10)17(3-7-20)4-8-21/h9,18-21H,1-8H2
InChIKeyVWHKDNFNLBNNHL-UHFFFAOYSA-N
MW320.78 g/mol
LogP-1.29
Rot. Bonds10

About 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 10426184) has the molecular formula C12H21ClN4O4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID10426184
Molecular FormulaC12H21ClN4O4
Molecular Weight320.78 g/mol
Exact Mass320.13
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1cc(Cl)nc(N(CCO)CCO)n1
InChIInChI=1S/C12H21ClN4O4/c13-10-9-11(16(1-5-18)2-6-19)15-12(14-10)17(3-7-20)4-8-21/h9,18-21H,1-8H2
InChIKeyVWHKDNFNLBNNHL-UHFFFAOYSA-N
XLogP-1.29
TPSA113.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923
2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
CID 113400870
2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 118949100
2-[(2-amino-6-chloropyrimidin-4-yl)-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 111464677
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107482130
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
CID 61234744
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-[(6-chloropyrazin-2-yl)-ethylamino]ethanol
CID 53408836
2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 10426184) is 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1cc(Cl)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VWHKDNFNLBNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O4/c13-10-9-11(16(1-5-18)2-6-19)15-12(14-10)17(3-7-20)4-8-21/h9,18-21H,1-8H2.
What are the key properties of 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 320.78 g/mol, XLogP of -1.29, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 10426184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).