5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H23N3O2 — CID 63537840

IUPAC5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC(Nc1cnc(C(C)C)nc1C(=O)O)C(C)C
InChIInChI=1S/C14H23N3O2/c1-6-10(8(2)3)16-11-7-15-13(9(4)5)17-12(11)14(18)19/h7-10,16H,6H2,1-5H3,(H,18,19)
InChIKeyWOVBKYWMOOHOOU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.14
Rot. Bonds6

About 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 63537840) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID63537840
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCC(Nc1cnc(C(C)C)nc1C(=O)O)C(C)C
InChIInChI=1S/C14H23N3O2/c1-6-10(8(2)3)16-11-7-15-13(9(4)5)17-12(11)14(18)19/h7-10,16H,6H2,1-5H3,(H,18,19)
InChIKeyWOVBKYWMOOHOOU-UHFFFAOYSA-N
XLogP3.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 63537840) is 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is CCC(Nc1cnc(C(C)C)nc1C(=O)O)C(C)C.
What is the InChIKey of 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is WOVBKYWMOOHOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-10(8(2)3)16-11-7-15-13(9(4)5)17-12(11)14(18)19/h7-10,16H,6H2,1-5H3,(H,18,19).
What are the key properties of 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 63537840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).