3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol

C16H28N4O — CID 102875528

IUPAC3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nc(C(C)C)nc(N(CCCO)C2CCC2)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20(9-6-10-21)13-7-5-8-13/h11,13,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySNIMSSHVPVUGQP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds7

About 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol

3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol (PubChem CID 102875528) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
PubChem CID102875528
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
SMILESCNc1nc(C(C)C)nc(N(CCCO)C2CCC2)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20(9-6-10-21)13-7-5-8-13/h11,13,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySNIMSSHVPVUGQP-UHFFFAOYSA-N
XLogP2.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol (CID 102875528) is 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol is CNc1nc(C(C)C)nc(N(CCCO)C2CCC2)c1C.
What is the InChIKey of 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is SNIMSSHVPVUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)14-18-15(17-4)12(3)16(19-14)20(9-6-10-21)13-7-5-8-13/h11,13,21H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol?
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 102875528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).