6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione

C16H14Cl2N4O3 — CID 148529153

IUPAC6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1nc2c(cc1Cl)c(=O)[nH]c(=O)n2-c1c(Cl)ccnc1C(C)C
InChIInChI=1S/C16H14Cl2N4O3/c1-7(2)11-12(9(17)4-5-19-11)22-13-8(14(23)21-16(22)24)6-10(18)15(20-13)25-3/h4-7H,1-3H3,(H,21,23,24)
InChIKeyMPYANWZUDCVABJ-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione

6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 148529153) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID148529153
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1nc2c(cc1Cl)c(=O)[nH]c(=O)n2-c1c(Cl)ccnc1C(C)C
InChIInChI=1S/C16H14Cl2N4O3/c1-7(2)11-12(9(17)4-5-19-11)22-13-8(14(23)21-16(22)24)6-10(18)15(20-13)25-3/h4-7H,1-3H3,(H,21,23,24)
InChIKeyMPYANWZUDCVABJ-UHFFFAOYSA-N
XLogP2.91
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione (CID 148529153) is 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione is COc1nc2c(cc1Cl)c(=O)[nH]c(=O)n2-c1c(Cl)ccnc1C(C)C.
What is the InChIKey of 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MPYANWZUDCVABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-7(2)11-12(9(17)4-5-19-11)22-13-8(14(23)21-16(22)24)6-10(18)15(20-13)25-3/h4-7H,1-3H3,(H,21,23,24).
What are the key properties of 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 381.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-chloro-2-propan-2-yl-3-pyridinyl)-7-methoxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 148529153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).