2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol

C15H27N5O — CID 107223732

IUPAC2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol
SMILESCC(C)NCc1cnc(N2CCCN(CCO)CC2)nc1
InChIInChI=1S/C15H27N5O/c1-13(2)16-10-14-11-17-15(18-12-14)20-5-3-4-19(6-7-20)8-9-21/h11-13,16,21H,3-10H2,1-2H3
InChIKeyDXYIIWSUCVNXFV-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.48
Rot. Bonds6

About 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol

2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol (PubChem CID 107223732) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol
PubChem CID107223732
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol
SMILESCC(C)NCc1cnc(N2CCCN(CCO)CC2)nc1
InChIInChI=1S/C15H27N5O/c1-13(2)16-10-14-11-17-15(18-12-14)20-5-3-4-19(6-7-20)8-9-21/h11-13,16,21H,3-10H2,1-2H3
InChIKeyDXYIIWSUCVNXFV-UHFFFAOYSA-N
XLogP0.48
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol (CID 107223732) is 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol is CC(C)NCc1cnc(N2CCCN(CCO)CC2)nc1.
What is the InChIKey of 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is DXYIIWSUCVNXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-13(2)16-10-14-11-17-15(18-12-14)20-5-3-4-19(6-7-20)8-9-21/h11-13,16,21H,3-10H2,1-2H3.
What are the key properties of 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol?
2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107223732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).