N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine

C17H28N4O — CID 133490645

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(CC3CCCC3)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-2-22-17-11-16(18-13-19-17)20-15-7-9-21(10-8-15)12-14-5-3-4-6-14/h11,13-15H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyKUKUWDGWWNUIAN-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.94
Rot. Bonds6

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine

N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine (PubChem CID 133490645) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
PubChem CID133490645
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCN(CC3CCCC3)CC2)ncn1
InChIInChI=1S/C17H28N4O/c1-2-22-17-11-16(18-13-19-17)20-15-7-9-21(10-8-15)12-14-5-3-4-6-14/h11,13-15H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyKUKUWDGWWNUIAN-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine with MolForge

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Related Compounds

6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
6-ethoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 133490993
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
CID 126888240
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 66328400
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine (CID 133490645) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2CCN(CC3CCCC3)CC2)ncn1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
The InChIKey is KUKUWDGWWNUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-22-17-11-16(18-13-19-17)20-15-7-9-21(10-8-15)12-14-5-3-4-6-14/h11,13-15H,2-10,12H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133490645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).