1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine

C16H27N5 — CID 175562316

IUPAC1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine
SMILESCC(C)C1CCN(c2ncc(C3(N)CC(N)C3)cn2)CC1
InChIInChI=1S/C16H27N5/c1-11(2)12-3-5-21(6-4-12)15-19-9-13(10-20-15)16(18)7-14(17)8-16/h9-12,14H,3-8,17-18H2,1-2H3
InChIKeySDBWOGMSIRVQDS-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine

1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine (PubChem CID 175562316) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine
PubChem CID175562316
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine
SMILESCC(C)C1CCN(c2ncc(C3(N)CC(N)C3)cn2)CC1
InChIInChI=1S/C16H27N5/c1-11(2)12-3-5-21(6-4-12)15-19-9-13(10-20-15)16(18)7-14(17)8-16/h9-12,14H,3-8,17-18H2,1-2H3
InChIKeySDBWOGMSIRVQDS-UHFFFAOYSA-N
XLogP1.62
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine?
The IUPAC name of 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine (CID 175562316) is 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine is CC(C)C1CCN(c2ncc(C3(N)CC(N)C3)cn2)CC1.
What is the InChIKey of 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine?
The InChIKey is SDBWOGMSIRVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)12-3-5-21(6-4-12)15-19-9-13(10-20-15)16(18)7-14(17)8-16/h9-12,14H,3-8,17-18H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine?
1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine has a molecular weight of 289.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 175562316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).