N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine

C14H24N4O — CID 71981393

IUPACN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)OCCN1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C14H24N4O/c1-12(2)19-11-10-18-8-4-13(5-9-18)17-14-15-6-3-7-16-14/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyMDSXWRWRFPZVCU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 71981393) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID71981393
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)OCCN1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C14H24N4O/c1-12(2)19-11-10-18-8-4-13(5-9-18)17-14-15-6-3-7-16-14/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,15,16,17)
InChIKeyMDSXWRWRFPZVCU-UHFFFAOYSA-N
XLogP1.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine (CID 71981393) is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine is CC(C)OCCN1CCC(Nc2ncccn2)CC1.
What is the InChIKey of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is MDSXWRWRFPZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(2)19-11-10-18-8-4-13(5-9-18)17-14-15-6-3-7-16-14/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine?
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 71981393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).