4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine

C16H30N4O — CID 115506001

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-8-17-16-18-11-14(6)15(19-16)21-10-9-20(12(2)3)13(4)5/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyQOVRXVDJHKZKIF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.10
Rot. Bonds9

About 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine

4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 115506001) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
PubChem CID115506001
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCCN(C(C)C)C(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-8-17-16-18-11-14(6)15(19-16)21-10-9-20(12(2)3)13(4)5/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyQOVRXVDJHKZKIF-UHFFFAOYSA-N
XLogP3.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80871082
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562

Frequently Asked Questions

What is the IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine (CID 115506001) is 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(OCCN(C(C)C)C(C)C)n1.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is QOVRXVDJHKZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-8-17-16-18-11-14(6)15(19-16)21-10-9-20(12(2)3)13(4)5/h11-13H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine?
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 115506001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).