N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C18H25N5 — CID 110265076

IUPACN-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(C)CN1CCCC1c1cccc(Nc2ncccn2)n1
InChIInChI=1S/C18H25N5/c1-18(2,3)13-23-12-5-8-15(23)14-7-4-9-16(21-14)22-17-19-10-6-11-20-17/h4,6-7,9-11,15H,5,8,12-13H2,1-3H3,(H,19,20,21,22)
InChIKeyAIYSPHKGZCPQLT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.80
Rot. Bonds4

About N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110265076) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110265076
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(C)CN1CCCC1c1cccc(Nc2ncccn2)n1
InChIInChI=1S/C18H25N5/c1-18(2,3)13-23-12-5-8-15(23)14-7-4-9-16(21-14)22-17-19-10-6-11-20-17/h4,6-7,9-11,15H,5,8,12-13H2,1-3H3,(H,19,20,21,22)
InChIKeyAIYSPHKGZCPQLT-UHFFFAOYSA-N
XLogP3.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110265076) is N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(C)CN1CCCC1c1cccc(Nc2ncccn2)n1.
What is the InChIKey of N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is AIYSPHKGZCPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-18(2,3)13-23-12-5-8-15(23)14-7-4-9-16(21-14)22-17-19-10-6-11-20-17/h4,6-7,9-11,15H,5,8,12-13H2,1-3H3,(H,19,20,21,22).
What are the key properties of N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110265076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).