N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine

C16H26N4O — CID 115975651

IUPACN-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCCCOc1ccnc(N2CCCC(CNC3CC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-2-10-21-15-7-8-17-16(19-15)20-9-3-4-13(12-20)11-18-14-5-6-14/h7-8,13-14,18H,2-6,9-12H2,1H3
InChIKeyKDBCWONYKJUDGD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 115975651) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID115975651
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
SMILESCCCOc1ccnc(N2CCCC(CNC3CC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-2-10-21-15-7-8-17-16(19-15)20-9-3-4-13(12-20)11-18-14-5-6-14/h7-8,13-14,18H,2-6,9-12H2,1H3
InChIKeyKDBCWONYKJUDGD-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
2-(4-bromo-3-methylpiperidin-1-yl)-4-propoxypyrimidine
CID 114682716
3-ethyl-1-(4-propoxypyrimidin-2-yl)piperidin-4-amine
CID 112638807
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
N-[[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55219574
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 119037395
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine (CID 115975651) is N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine is CCCOc1ccnc(N2CCCC(CNC3CC3)C2)n1.
What is the InChIKey of N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is KDBCWONYKJUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-10-21-15-7-8-17-16(19-15)20-9-3-4-13(12-20)11-18-14-5-6-14/h7-8,13-14,18H,2-6,9-12H2,1H3.
What are the key properties of N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115975651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).