4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine

C22H26N6 — CID 135208279

IUPAC4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine
SMILESCCC1CCN(Cc2cccc(Nc3nccc(-c4ccc(N)nc4)n3)c2)C1
InChIInChI=1S/C22H26N6/c1-2-16-9-11-28(14-16)15-17-4-3-5-19(12-17)26-22-24-10-8-20(27-22)18-6-7-21(23)25-13-18/h3-8,10,12-13,16H,2,9,11,14-15H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyWXXVAQKOCKJKJN-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.10
Rot. Bonds6

About 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine

4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine (PubChem CID 135208279) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine
PubChem CID135208279
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine
SMILESCCC1CCN(Cc2cccc(Nc3nccc(-c4ccc(N)nc4)n3)c2)C1
InChIInChI=1S/C22H26N6/c1-2-16-9-11-28(14-16)15-17-4-3-5-19(12-17)26-22-24-10-8-20(27-22)18-6-7-21(23)25-13-18/h3-8,10,12-13,16H,2,9,11,14-15H2,1H3,(H2,23,25)(H,24,26,27)
InChIKeyWXXVAQKOCKJKJN-UHFFFAOYSA-N
XLogP4.10
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine (CID 135208279) is 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine is CCC1CCN(Cc2cccc(Nc3nccc(-c4ccc(N)nc4)n3)c2)C1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine?
The InChIKey is WXXVAQKOCKJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-16-9-11-28(14-16)15-17-4-3-5-19(12-17)26-22-24-10-8-20(27-22)18-6-7-21(23)25-13-18/h3-8,10,12-13,16H,2,9,11,14-15H2,1H3,(H2,23,25)(H,24,26,27).
What are the key properties of 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine?
4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 135208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).