(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone

C17H25N5O2 — CID 5260749

IUPAC(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESCc1nc2c(c(N3CCCC3)n1)CN(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H25N5O2/c1-13-18-15-4-7-22(17(23)21-8-10-24-11-9-21)12-14(15)16(19-13)20-5-2-3-6-20/h2-12H2,1H3
InChIKeyQIHLQNRBIKFVHP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.20
Rot. Bonds1

About (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone

(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone (PubChem CID 5260749) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
PubChem CID5260749
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESCc1nc2c(c(N3CCCC3)n1)CN(C(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H25N5O2/c1-13-18-15-4-7-22(17(23)21-8-10-24-11-9-21)12-14(15)16(19-13)20-5-2-3-6-20/h2-12H2,1H3
InChIKeyQIHLQNRBIKFVHP-UHFFFAOYSA-N
XLogP1.20
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone (CID 5260749) is (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone is Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)N1CCOCC1)CC2.
What is the InChIKey of (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is QIHLQNRBIKFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-18-15-4-7-22(17(23)21-8-10-24-11-9-21)12-14(15)16(19-13)20-5-2-3-6-20/h2-12H2,1H3.
What are the key properties of (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 5260749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).