N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane

C23H33N3 — CID 142998785

IUPACN-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane
SMILESCC.CCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccccc1
InChIInChI=1S/C21H27N3.C2H6/c1-3-13-24(14-16-9-10-16)21-19-12-11-18(17-7-5-4-6-8-17)20(19)22-15(2)23-21;1-2/h4-8,16,18H,3,9-14H2,1-2H3;1-2H3
InChIKeyYJGFICFRYUIZLS-UHFFFAOYSA-N
MW351.54 g/mol
LogP5.52
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane

N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane (PubChem CID 142998785) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane
PubChem CID142998785
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC NameN-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane
SMILESCC.CCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccccc1
InChIInChI=1S/C21H27N3.C2H6/c1-3-13-24(14-16-9-10-16)21-19-12-11-18(17-7-5-4-6-8-17)20(19)22-15(2)23-21;1-2/h4-8,16,18H,3,9-14H2,1-2H3;1-2H3
InChIKeyYJGFICFRYUIZLS-UHFFFAOYSA-N
XLogP5.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane (CID 142998785) is N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane is CC.CCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane?
The InChIKey is YJGFICFRYUIZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.C2H6/c1-3-13-24(14-16-9-10-16)21-19-12-11-18(17-7-5-4-6-8-17)20(19)22-15(2)23-21;1-2/h4-8,16,18H,3,9-14H2,1-2H3;1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane?
N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane has a molecular weight of 351.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-7-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 142998785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).