N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

C18H30N4O — CID 72930583

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCC3(C)COC3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-5-16-10-17(21-14(2)20-16)22-8-6-15(7-9-22)19-11-18(3)12-23-13-18/h10,15,19H,4-9,11-13H2,1-3H3
InChIKeyRHWOFNGELPBMIQ-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.33
Rot. Bonds6

About N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72930583) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72930583
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCC3(C)COC3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-4-5-16-10-17(21-14(2)20-16)22-8-6-15(7-9-22)19-11-18(3)12-23-13-18/h10,15,19H,4-9,11-13H2,1-3H3
InChIKeyRHWOFNGELPBMIQ-UHFFFAOYSA-N
XLogP2.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 72849212
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 72848013
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72865903
(5R)-5-ethyl-5-[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95206096
1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 72857573
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-amine
CID 95711409
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 72916795
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
1,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]piperidin-4-amine
CID 81345344
(1S,9S)-11-(2-methyl-6-propylpyrimidin-4-yl)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118786507
N-(4-methoxyphenyl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioamide
CID 5302543
N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72862416

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (CID 72930583) is N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(NCC3(C)COC3)CC2)nc(C)n1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is RHWOFNGELPBMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-5-16-10-17(21-14(2)20-16)22-8-6-15(7-9-22)19-11-18(3)12-23-13-18/h10,15,19H,4-9,11-13H2,1-3H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 318.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72930583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).