1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H21N5O3 — CID 56808272

IUPAC1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1CCN(C(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-10(2)20-6-8-21(9-7-20)15(23)12-5-4-11-13(17-12)19(3)16(24)18-14(11)22/h4-5,10H,6-9H2,1-3H3,(H,18,22,24)
InChIKeyDYYGMOGHGQKMGF-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.21
Rot. Bonds2

About 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56808272) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID56808272
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1CCN(C(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-10(2)20-6-8-21(9-7-20)15(23)12-5-4-11-13(17-12)19(3)16(24)18-14(11)22/h4-5,10H,6-9H2,1-3H3,(H,18,22,24)
InChIKeyDYYGMOGHGQKMGF-UHFFFAOYSA-N
XLogP-0.21
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 56808272) is 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)N1CCN(C(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)CC1.
What is the InChIKey of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DYYGMOGHGQKMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(2)20-6-8-21(9-7-20)15(23)12-5-4-11-13(17-12)19(3)16(24)18-14(11)22/h4-5,10H,6-9H2,1-3H3,(H,18,22,24).
What are the key properties of 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56808272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).