2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile

C18H21N5O2 — CID 169396983

IUPAC2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile
SMILESCCOc1cc(-c2nc(N)nc(N)c2C#N)ccc1OC1CCCC1
InChIInChI=1S/C18H21N5O2/c1-2-24-15-9-11(7-8-14(15)25-12-5-3-4-6-12)16-13(10-19)17(20)23-18(21)22-16/h7-9,12H,2-6H2,1H3,(H4,20,21,22,23)
InChIKeyUEJCAHYWRLGIIE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.90
Rot. Bonds5

About 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 169396983) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile
PubChem CID169396983
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile
SMILESCCOc1cc(-c2nc(N)nc(N)c2C#N)ccc1OC1CCCC1
InChIInChI=1S/C18H21N5O2/c1-2-24-15-9-11(7-8-14(15)25-12-5-3-4-6-12)16-13(10-19)17(20)23-18(21)22-16/h7-9,12H,2-6H2,1H3,(H4,20,21,22,23)
InChIKeyUEJCAHYWRLGIIE-UHFFFAOYSA-N
XLogP2.90
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)pyrimidine-5-carbonitrile
CID 169397996
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
2,4-diamino-6-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397756
2,4-diamino-6-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397798
[5-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-ethoxyphenyl]methyl acetate
CID 169397574
2,4-diamino-6-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169397903
2,4-diamino-6-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397752
2,4-diamino-6-(4-butoxy-3-methylphenyl)pyrimidine-5-carbonitrile
CID 169396506
2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 169397039
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963
2,4-diamino-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169397288
2,4-diamino-6-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169397178

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile (CID 169396983) is 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile is CCOc1cc(-c2nc(N)nc(N)c2C#N)ccc1OC1CCCC1.
What is the InChIKey of 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is UEJCAHYWRLGIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-24-15-9-11(7-8-14(15)25-12-5-3-4-6-12)16-13(10-19)17(20)23-18(21)22-16/h7-9,12H,2-6H2,1H3,(H4,20,21,22,23).
What are the key properties of 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(4-cyclopentyloxy-3-ethoxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).