3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine

C15H27N5 — CID 62785474

IUPAC3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H27N5/c1-3-14(5-7-16)19-9-4-10-20(12-11-19)15-6-8-17-13(2)18-15/h6,8,14H,3-5,7,9-12,16H2,1-2H3
InChIKeyIINZJFMZURQSBY-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.42
Rot. Bonds5

About 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine

3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 62785474) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID62785474
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H27N5/c1-3-14(5-7-16)19-9-4-10-20(12-11-19)15-6-8-17-13(2)18-15/h6,8,14H,3-5,7,9-12,16H2,1-2H3
InChIKeyIINZJFMZURQSBY-UHFFFAOYSA-N
XLogP1.42
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine (CID 62785474) is 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine is CCC(CCN)N1CCCN(c2ccnc(C)n2)CC1.
What is the InChIKey of 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is IINZJFMZURQSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-14(5-7-16)19-9-4-10-20(12-11-19)15-6-8-17-13(2)18-15/h6,8,14H,3-5,7,9-12,16H2,1-2H3.
What are the key properties of 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine?
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 62785474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).