[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C16H26N4O2 — CID 75442007

IUPAC[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)C1CCCO1
InChIInChI=1S/C16H26N4O2/c1-12(14-5-3-7-22-14)19-15-8-16(18-11-17-15)20-6-2-4-13(9-20)10-21/h8,11-14,21H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyJWTFQXAVQQBGHC-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.66
Rot. Bonds5

About [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 75442007) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID75442007
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)C1CCCO1
InChIInChI=1S/C16H26N4O2/c1-12(14-5-3-7-22-14)19-15-8-16(18-11-17-15)20-6-2-4-13(9-20)10-21/h8,11-14,21H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyJWTFQXAVQQBGHC-UHFFFAOYSA-N
XLogP1.66
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 75442007) is [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is CC(Nc1cc(N2CCCC(CO)C2)ncn1)C1CCCO1.
What is the InChIKey of [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is JWTFQXAVQQBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(14-5-3-7-22-14)19-15-8-16(18-11-17-15)20-6-2-4-13(9-20)10-21/h8,11-14,21H,2-7,9-10H2,1H3,(H,17,18,19).
What are the key properties of [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[1-(oxolan-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 75442007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).