6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine

C16H28N4O — CID 102741401

IUPAC6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(OCCN(C)C2CC2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12-16(19-14)21-11-10-20(3)13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySIFSWDKBCZUCAB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds10

About 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine

6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine (PubChem CID 102741401) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
PubChem CID102741401
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(OCCN(C)C2CC2)nc(CCC)n1
InChIInChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12-16(19-14)21-11-10-20(3)13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySIFSWDKBCZUCAB-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 102741196
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 102741308
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80949834
2-(6-hydrazinyl-2-propylpyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 80947210
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934905
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine (CID 102741401) is 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(OCCN(C)C2CC2)nc(CCC)n1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine?
The InChIKey is SIFSWDKBCZUCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-14-18-15(17-9-5-2)12-16(19-14)21-11-10-20(3)13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine?
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 102741401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).