N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine

C16H26N4O — CID 115975643

IUPACN-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccnc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)21-15-8-9-17-16(19-15)20-10-4-3-5-14(20)11-18-13-6-7-13/h8-9,12-14,18H,3-7,10-11H2,1-2H3
InChIKeyRHZPLWIFPLRGHJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds6

About N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine

N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 115975643) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
PubChem CID115975643
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
SMILESCC(C)Oc1ccnc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)21-15-8-9-17-16(19-15)20-10-4-3-5-14(20)11-18-13-6-7-13/h8-9,12-14,18H,3-7,10-11H2,1-2H3
InChIKeyRHZPLWIFPLRGHJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-propan-2-yloxypyrimidin-2-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 115975665
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
CID 64585888
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 114787647

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine (CID 115975643) is N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine is CC(C)Oc1ccnc(N2CCCCC2CNC2CC2)n1.
What is the InChIKey of N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is RHZPLWIFPLRGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)21-15-8-9-17-16(19-15)20-10-4-3-5-14(20)11-18-13-6-7-13/h8-9,12-14,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115975643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).