2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine

C15H28N4O3 — CID 44577414

IUPAC2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCC(C)Oc1cc(OCCN(C)C)nc(OCCN(C)C)n1
InChIInChI=1S/C15H28N4O3/c1-12(2)22-14-11-13(20-9-7-18(3)4)16-15(17-14)21-10-8-19(5)6/h11-12H,7-10H2,1-6H3
InChIKeyHPFGBECEMPCCLY-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.14
Rot. Bonds10

About 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine

2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 44577414) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
PubChem CID44577414
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
SMILESCC(C)Oc1cc(OCCN(C)C)nc(OCCN(C)C)n1
InChIInChI=1S/C15H28N4O3/c1-12(2)22-14-11-13(20-9-7-18(3)4)16-15(17-14)21-10-8-19(5)6/h11-12H,7-10H2,1-6H3
InChIKeyHPFGBECEMPCCLY-UHFFFAOYSA-N
XLogP1.14
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
CID 3025152
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
CID 1955478
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(2-methoxyethylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577027
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577029
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine (CID 44577414) is 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine is CC(C)Oc1cc(OCCN(C)C)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is HPFGBECEMPCCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-12(2)22-14-11-13(20-9-7-18(3)4)16-15(17-14)21-10-8-19(5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine?
2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 312.41 g/mol, XLogP of 1.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 44577414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).