4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid

C15H18N6O3 — CID 175319266

IUPAC4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid
SMILESCNc1nc(Nc2cccnc2C2CNCCO2)ncc1C(=O)O
InChIInChI=1S/C15H18N6O3/c1-16-13-9(14(22)23)7-19-15(21-13)20-10-3-2-4-18-12(10)11-8-17-5-6-24-11/h2-4,7,11,17H,5-6,8H2,1H3,(H,22,23)(H2,16,19,20,21)
InChIKeyKGRHXMHGMFHMGY-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.02
Rot. Bonds5

About 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid

4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 175319266) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid
PubChem CID175319266
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid
SMILESCNc1nc(Nc2cccnc2C2CNCCO2)ncc1C(=O)O
InChIInChI=1S/C15H18N6O3/c1-16-13-9(14(22)23)7-19-15(21-13)20-10-3-2-4-18-12(10)11-8-17-5-6-24-11/h2-4,7,11,17H,5-6,8H2,1H3,(H,22,23)(H2,16,19,20,21)
InChIKeyKGRHXMHGMFHMGY-UHFFFAOYSA-N
XLogP1.02
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid (CID 175319266) is 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid is CNc1nc(Nc2cccnc2C2CNCCO2)ncc1C(=O)O.
What is the InChIKey of 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is KGRHXMHGMFHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-16-13-9(14(22)23)7-19-15(21-13)20-10-3-2-4-18-12(10)11-8-17-5-6-24-11/h2-4,7,11,17H,5-6,8H2,1H3,(H,22,23)(H2,16,19,20,21).
What are the key properties of 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid?
4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-[(2-morpholin-2-yl-3-pyridinyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 175319266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).