5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C17H23N5O — CID 159145940

IUPAC5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H23N5O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21)
InChIKeyKILUDFFVAUJHKQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.28
Rot. Bonds5

About 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 159145940) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID159145940
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H23N5O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21)
InChIKeyKILUDFFVAUJHKQ-UHFFFAOYSA-N
XLogP3.28
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 159145940) is 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is Cc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is KILUDFFVAUJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21).
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 159145940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).