2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine

C16H27N3O2 — CID 103491719

IUPAC2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(OC(C)COCC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-9-17-14-12(4)16(21-11(3)10-20-6-2)19-15(18-14)13-7-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyQZYRODXUUICOFL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.29
Rot. Bonds9

About 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 103491719) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID103491719
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(OC(C)COCC)c1C
InChIInChI=1S/C16H27N3O2/c1-5-9-17-14-12(4)16(21-11(3)10-20-6-2)19-15(18-14)13-7-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyQZYRODXUUICOFL-UHFFFAOYSA-N
XLogP3.29
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Carboxymethoxy-2-cyclopropyl-4-cyclopropylmethylamino-5-methylpyrimidine trifluoroacetate salt
CID 67094478
[2-[2-Cyclopropyl-6-(cyclopropylmethylamino)-5-methylpyrimidin-4-yl]oxyacetyl] 2,2,2-trifluoroacetate
CID 87266393
N,2,5-trimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859006
2,5-dimethyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859358
N-ethyl-2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859359
N-ethyl-2,5-dimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80867714
N,2,5-trimethyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80868716
2,5-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80868961
2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine
CID 80871132
5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877217
N-ethyl-2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80877240
N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877384

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine (CID 103491719) is 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(OC(C)COCC)c1C.
What is the InChIKey of 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is QZYRODXUUICOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-17-14-12(4)16(21-11(3)10-20-6-2)19-15(18-14)13-7-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103491719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).