1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane

C15H26N4 — CID 63319282

IUPAC1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
SMILESCCCc1cc(C(C)C)nc(N2CCCNCC2)n1
InChIInChI=1S/C15H26N4/c1-4-6-13-11-14(12(2)3)18-15(17-13)19-9-5-7-16-8-10-19/h11-12,16H,4-10H2,1-3H3
InChIKeySAGYWXJONLVXHZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane

1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane (PubChem CID 63319282) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
PubChem CID63319282
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
SMILESCCCc1cc(C(C)C)nc(N2CCCNCC2)n1
InChIInChI=1S/C15H26N4/c1-4-6-13-11-14(12(2)3)18-15(17-13)19-9-5-7-16-8-10-19/h11-12,16H,4-10H2,1-3H3
InChIKeySAGYWXJONLVXHZ-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane (CID 63319282) is 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane is CCCc1cc(C(C)C)nc(N2CCCNCC2)n1.
What is the InChIKey of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane?
The InChIKey is SAGYWXJONLVXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-6-13-11-14(12(2)3)18-15(17-13)19-9-5-7-16-8-10-19/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane?
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane has a molecular weight of 262.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane is sourced from PubChem (CID 63319282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).