2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

C18H29N5O2 — CID 172901310

IUPAC2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CC3CCCCO3)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-2-10-25-16(3-1)14-22-7-5-15(13-22)20-17-4-6-19-18(21-17)23-8-11-24-12-9-23/h4,6,15-16H,1-3,5,7-14H2,(H,19,20,21)
InChIKeyADZHOCXKXGRZFT-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.37
Rot. Bonds5

About 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172901310) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172901310
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CC3CCCCO3)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H29N5O2/c1-2-10-25-16(3-1)14-22-7-5-15(13-22)20-17-4-6-19-18(21-17)23-8-11-24-12-9-23/h4,6,15-16H,1-3,5,7-14H2,(H,19,20,21)
InChIKeyADZHOCXKXGRZFT-UHFFFAOYSA-N
XLogP1.37
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172901310) is 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is c1cc(NC2CCN(CC3CCCCO3)C2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is ADZHOCXKXGRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-10-25-16(3-1)14-22-7-5-15(13-22)20-17-4-6-19-18(21-17)23-8-11-24-12-9-23/h4,6,15-16H,1-3,5,7-14H2,(H,19,20,21).
What are the key properties of 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 347.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172901310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).