2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine

C12H19N3O — CID 102989352

IUPAC2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine
SMILESCCCC(C)Oc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-3-4-8(2)16-11-7-10(13)14-12(15-11)9-5-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyGCSMCCQEVUNCHB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.50
Rot. Bonds5

About 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine

2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine (PubChem CID 102989352) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine
PubChem CID102989352
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine
SMILESCCCC(C)Oc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-3-4-8(2)16-11-7-10(13)14-12(15-11)9-5-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyGCSMCCQEVUNCHB-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(1-methoxypropan-2-yloxy)pyrimidin-4-amine
CID 80963189
6-pentan-2-yloxypyrimidine-2,4-diamine
CID 102989471
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
6-pentan-2-yloxypyrazin-2-amine
CID 102988494
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-cyclopropyl-6-(2-cyclopropylethoxy)pyrimidin-4-amine
CID 106207497
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine (CID 102989352) is 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine is CCCC(C)Oc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine?
The InChIKey is GCSMCCQEVUNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-8(2)16-11-7-10(13)14-12(15-11)9-5-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine?
2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 102989352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).