1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine

C13H20N4O — CID 83105634

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1c1ncnc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-14-7-10-8-18-6-5-17(10)13-11-3-2-4-12(11)15-9-16-13/h9-10,14H,2-8H2,1H3
InChIKeyBZMFCWQYZZTTTA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.39
Rot. Bonds3

About 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine (PubChem CID 83105634) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine
PubChem CID83105634
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1c1ncnc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-14-7-10-8-18-6-5-17(10)13-11-3-2-4-12(11)15-9-16-13/h9-10,14H,2-8H2,1H3
InChIKeyBZMFCWQYZZTTTA-UHFFFAOYSA-N
XLogP0.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine (CID 83105634) is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1c1ncnc2c1CCC2.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine?
The InChIKey is BZMFCWQYZZTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-7-10-8-18-6-5-17(10)13-11-3-2-4-12(11)15-9-16-13/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine?
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine has a molecular weight of 248.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83105634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).