cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H29N5O — CID 56861697

IUPACcyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCN(CC)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C19H29N5O/c1-3-22(4-2)15-7-9-23(11-15)18-16-8-10-24(19(25)14-5-6-14)12-17(16)20-13-21-18/h13-15H,3-12H2,1-2H3
InChIKeyPUSPVCDLYFSHPO-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.69
Rot. Bonds5

About cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56861697) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56861697
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Namecyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCN(CC)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C19H29N5O/c1-3-22(4-2)15-7-9-23(11-15)18-16-8-10-24(19(25)14-5-6-14)12-17(16)20-13-21-18/h13-15H,3-12H2,1-2H3
InChIKeyPUSPVCDLYFSHPO-UHFFFAOYSA-N
XLogP1.69
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56861697) is cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CCN(CC)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1.
What is the InChIKey of cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is PUSPVCDLYFSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-22(4-2)15-7-9-23(11-15)18-16-8-10-24(19(25)14-5-6-14)12-17(16)20-13-21-18/h13-15H,3-12H2,1-2H3.
What are the key properties of cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(diethylamino)pyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56861697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).