N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine

C14H24N4O — CID 112638459

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-4-19-12-7-10-15-13(17-12)16-11-14(18(2)3)8-5-6-9-14/h7,10H,4-6,8-9,11H2,1-3H3,(H,15,16,17)
InChIKeyTUJJJQGBAVZNRW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.16
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112638459) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine
PubChem CID112638459
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-4-19-12-7-10-15-13(17-12)16-11-14(18(2)3)8-5-6-9-14/h7,10H,4-6,8-9,11H2,1-3H3,(H,15,16,17)
InChIKeyTUJJJQGBAVZNRW-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
Pyrimidine, 2-amino-4-(2-dibutylaminoethoxy)-
CID 3025151
Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-
CID 3025152
Pyrimidine, 2-amino-4-(2-diisobutylaminoethoxy)-
CID 3025153
Pyrimidine, 2-amino-4-(2-dioctylaminoethoxy)-
CID 3025155
Pyrimidine, 2-amino-4-(2-di-sec-butylaminoethoxy)-
CID 24845029
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
N'-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]-N,N-dimethylsulfamide hydrochloride
CID 72930484
N'-[(3S*,4R*)-4-isopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylsulfamide
CID 72937947
N-butyl-4-propan-2-yloxypyrimidin-2-amine
CID 21630673
N-cyclopentyl-4-methoxy-N-methylpyrimidin-2-amine
CID 40087175
1-[2-[(4-Ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol
CID 50970844

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine (CID 112638459) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCC2(N(C)C)CCCC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is TUJJJQGBAVZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-19-12-7-10-15-13(17-12)16-11-14(18(2)3)8-5-6-9-14/h7,10H,4-6,8-9,11H2,1-3H3,(H,15,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112638459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).