6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C27H30ClFN6O3 — CID 153292778

IUPAC6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nc(OCCN(C)C)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C27H30ClFN6O3/c1-14(2)20-23(21(15(3)4)32-26(31-20)38-12-11-34(5)6)35-24-17(25(36)33-27(35)37)13-18(28)22(30-24)16-9-7-8-10-19(16)29/h7-10,13-15H,11-12H2,1-6H3,(H,33,36,37)
InChIKeyFVQJYULRNCLQOQ-UHFFFAOYSA-N
MW541.03 g/mol
LogP4.51
Rot. Bonds8

About 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 153292778) has the molecular formula C27H30ClFN6O3 and a molecular weight of 541.03 g/mol. Its IUPAC name is 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID153292778
Molecular FormulaC27H30ClFN6O3
Molecular Weight541.03 g/mol
Exact Mass540.21
IUPAC Name6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nc(OCCN(C)C)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C27H30ClFN6O3/c1-14(2)20-23(21(15(3)4)32-26(31-20)38-12-11-34(5)6)35-24-17(25(36)33-27(35)37)13-18(28)22(30-24)16-9-7-8-10-19(16)29/h7-10,13-15H,11-12H2,1-6H3,(H,33,36,37)
InChIKeyFVQJYULRNCLQOQ-UHFFFAOYSA-N
XLogP4.51
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 153292778) is 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1nc(OCCN(C)C)nc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FVQJYULRNCLQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN6O3/c1-14(2)20-23(21(15(3)4)32-26(31-20)38-12-11-34(5)6)35-24-17(25(36)33-27(35)37)13-18(28)22(30-24)16-9-7-8-10-19(16)29/h7-10,13-15H,11-12H2,1-6H3,(H,33,36,37).
What are the key properties of 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 541.03 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[2-(dimethylamino)ethoxy]-4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 153292778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).