N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H15N5 — CID 138019220

IUPACN-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(Cc1ncccn1)c1ncnc2c1CCC2
InChIInChI=1S/C13H15N5/c1-18(8-12-14-6-3-7-15-12)13-10-4-2-5-11(10)16-9-17-13/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyLCXVHLOXWQBBTE-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 138019220) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID138019220
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(Cc1ncccn1)c1ncnc2c1CCC2
InChIInChI=1S/C13H15N5/c1-18(8-12-14-6-3-7-15-12)13-10-4-2-5-11(10)16-9-17-13/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyLCXVHLOXWQBBTE-UHFFFAOYSA-N
XLogP1.39
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 138019220) is N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CN(Cc1ncccn1)c1ncnc2c1CCC2.
What is the InChIKey of N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is LCXVHLOXWQBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18(8-12-14-6-3-7-15-12)13-10-4-2-5-11(10)16-9-17-13/h3,6-7,9H,2,4-5,8H2,1H3.
What are the key properties of N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 241.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 138019220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).