N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine

C13H23ClN4O — CID 113400798

IUPACN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCOCc1nc(Cl)cc(NCCN(CC)CC)n1
InChIInChI=1S/C13H23ClN4O/c1-4-18(5-2)8-7-15-12-9-11(14)16-13(17-12)10-19-6-3/h9H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyUHHADFRGAJWAIK-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.42
Rot. Bonds9

About N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine

N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 113400798) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID113400798
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCOCc1nc(Cl)cc(NCCN(CC)CC)n1
InChIInChI=1S/C13H23ClN4O/c1-4-18(5-2)8-7-15-12-9-11(14)16-13(17-12)10-19-6-3/h9H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyUHHADFRGAJWAIK-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-2-(ethoxymethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 114126487
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine (CID 113400798) is N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine is CCOCc1nc(Cl)cc(NCCN(CC)CC)n1.
What is the InChIKey of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is UHHADFRGAJWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-4-18(5-2)8-7-15-12-9-11(14)16-13(17-12)10-19-6-3/h9H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine?
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 286.81 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 113400798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).