[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C17H31N5O — CID 117079982

IUPAC[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)N(CCNc1ccnc(N2CCCC2CO)n1)C(C)C
InChIInChI=1S/C17H31N5O/c1-13(2)21(14(3)4)11-9-18-16-7-8-19-17(20-16)22-10-5-6-15(22)12-23/h7-8,13-15,23H,5-6,9-12H2,1-4H3,(H,18,19,20)
InChIKeyJRDAXWLTLBUMAL-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.97
Rot. Bonds8

About [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 117079982) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID117079982
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)N(CCNc1ccnc(N2CCCC2CO)n1)C(C)C
InChIInChI=1S/C17H31N5O/c1-13(2)21(14(3)4)11-9-18-16-7-8-19-17(20-16)22-10-5-6-15(22)12-23/h7-8,13-15,23H,5-6,9-12H2,1-4H3,(H,18,19,20)
InChIKeyJRDAXWLTLBUMAL-UHFFFAOYSA-N
XLogP1.97
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 117079982) is [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is CC(C)N(CCNc1ccnc(N2CCCC2CO)n1)C(C)C.
What is the InChIKey of [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is JRDAXWLTLBUMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-13(2)21(14(3)4)11-9-18-16-7-8-19-17(20-16)22-10-5-6-15(22)12-23/h7-8,13-15,23H,5-6,9-12H2,1-4H3,(H,18,19,20).
What are the key properties of [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 321.47 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[di(propan-2-yl)amino]ethylamino]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117079982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).