1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol

C17H29N5O2 — CID 72839277

IUPAC1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(N3CCC(O)CC3)CC2)nc(N)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)24-16-11-15(19-17(18)20-16)22-7-3-13(4-8-22)21-9-5-14(23)6-10-21/h11-14,23H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyVRECSIVUQGTCRC-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.27
Rot. Bonds4

About 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol

1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol (PubChem CID 72839277) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
PubChem CID72839277
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(N3CCC(O)CC3)CC2)nc(N)n1
InChIInChI=1S/C17H29N5O2/c1-12(2)24-16-11-15(19-17(18)20-16)22-7-3-13(4-8-22)21-9-5-14(23)6-10-21/h11-14,23H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyVRECSIVUQGTCRC-UHFFFAOYSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol (CID 72839277) is 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol is CC(C)Oc1cc(N2CCC(N3CCC(O)CC3)CC2)nc(N)n1.
What is the InChIKey of 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
The InChIKey is VRECSIVUQGTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)24-16-11-15(19-17(18)20-16)22-7-3-13(4-8-22)21-9-5-14(23)6-10-21/h11-14,23H,3-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol?
1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol has a molecular weight of 335.45 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72839277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).