1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C16H26N4O2 — CID 50959323

IUPAC1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(CCC1CCOCC1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C16H26N4O2/c1-19(8-3-13-5-10-22-11-6-13)16-17-7-2-15(18-16)20-9-4-14(21)12-20/h2,7,13-14,21H,3-6,8-12H2,1H3
InChIKeyINWZVCVNKOJQMX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50959323) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50959323
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(CCC1CCOCC1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C16H26N4O2/c1-19(8-3-13-5-10-22-11-6-13)16-17-7-2-15(18-16)20-9-4-14(21)12-20/h2,7,13-14,21H,3-6,8-12H2,1H3
InChIKeyINWZVCVNKOJQMX-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50959323) is 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(CCC1CCOCC1)c1nccc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is INWZVCVNKOJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(8-3-13-5-10-22-11-6-13)16-17-7-2-15(18-16)20-9-4-14(21)12-20/h2,7,13-14,21H,3-6,8-12H2,1H3.
What are the key properties of 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 306.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(oxan-4-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50959323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).