1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine

C12H20N4O — CID 112638532

IUPAC1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
SMILESCC(C)Oc1ccnc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-9(2)17-11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyWPTRJCWDYWZBEE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds3

About 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine

1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine (PubChem CID 112638532) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
PubChem CID112638532
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
SMILESCC(C)Oc1ccnc(N2CCCC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-9(2)17-11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyWPTRJCWDYWZBEE-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 112638675
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
CID 115975429
3-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
CID 112639508
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine?
The IUPAC name of 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine (CID 112638532) is 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine is CC(C)Oc1ccnc(N2CCCC(N)C2)n1.
What is the InChIKey of 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine?
The InChIKey is WPTRJCWDYWZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)17-11-5-6-14-12(15-11)16-7-3-4-10(13)8-16/h5-6,9-10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine?
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine is sourced from PubChem (CID 112638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).