6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C17H30N4 — CID 80955490

IUPAC6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCCCCC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-15-13-16(20-17(19-15)14(2)3)21-11-8-6-5-7-9-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyYKTWNXMOKQJWTC-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.19
Rot. Bonds5

About 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80955490) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80955490
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCCCCC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-15-13-16(20-17(19-15)14(2)3)21-11-8-6-5-7-9-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyYKTWNXMOKQJWTC-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80955490) is 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCCCCCC2)nc(C(C)C)n1.
What is the InChIKey of 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is YKTWNXMOKQJWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-10-18-15-13-16(20-17(19-15)14(2)3)21-11-8-6-5-7-9-12-21/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80955490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).