5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C10H15N3O — CID 83861742

IUPAC5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1C(CCN)CC2
InChIInChI=1S/C10H15N3O/c1-6-9-7(4-5-11)2-3-8(9)13-10(14)12-6/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyRLPBXSJEDZBAFB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.46
Rot. Bonds2

About 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83861742) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83861742
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1C(CCN)CC2
InChIInChI=1S/C10H15N3O/c1-6-9-7(4-5-11)2-3-8(9)13-10(14)12-6/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyRLPBXSJEDZBAFB-UHFFFAOYSA-N
XLogP0.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-4-ethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861720
4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861425
5-(2-aminoethyl)-4-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 83861998
2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine
CID 83912827
5-(2-aminoethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861735
4-methyl-6,7-dihydro-3H-cyclopenta[d]pyrimidine-2,5-dione
CID 83861344
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 105432959
(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
CID 83861961
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
CID 83861716
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine
CID 83861692

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83861742) is 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is Cc1[nH]c(=O)nc2c1C(CCN)CC2.
What is the InChIKey of 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is RLPBXSJEDZBAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-9-7(4-5-11)2-3-8(9)13-10(14)12-6/h7H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83861742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).