N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine

C15H26N4O — CID 107164370

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-11-20-13-5-8-16-14(18-13)17-12-15(2)6-9-19(3)10-7-15/h5,8H,4,6-7,9-12H2,1-3H3,(H,16,17,18)
InChIKeyRBSXRNHOZLOMSI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds6

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine (PubChem CID 107164370) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
PubChem CID107164370
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-11-20-13-5-8-16-14(18-13)17-12-15(2)6-9-19(3)10-7-15/h5,8H,4,6-7,9-12H2,1-3H3,(H,16,17,18)
InChIKeyRBSXRNHOZLOMSI-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 106321862
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017
N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638136
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 107163063

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine (CID 107164370) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC2(C)CCN(C)CC2)n1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is RBSXRNHOZLOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-11-20-13-5-8-16-14(18-13)17-12-15(2)6-9-19(3)10-7-15/h5,8H,4,6-7,9-12H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 107164370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).