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

C21H35N5O2 — CID 128992298

IUPAC2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1ccnc(N2CCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C21H35N5O2/c1-16(2)20-18(4-3-11-28-20)23-19-5-7-22-21(24-19)26-8-6-17(15-26)14-25-9-12-27-13-10-25/h5,7,16-18,20H,3-4,6,8-15H2,1-2H3,(H,22,23,24)
InChIKeyWZEBAGUHQGLWLD-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.25
Rot. Bonds6

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

2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine (PubChem CID 128992298) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
PubChem CID128992298
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
SMILESCC(C)C1OCCCC1Nc1ccnc(N2CCC(CN3CCOCC3)C2)n1
InChIInChI=1S/C21H35N5O2/c1-16(2)20-18(4-3-11-28-20)23-19-5-7-22-21(24-19)26-8-6-17(15-26)14-25-9-12-27-13-10-25/h5,7,16-18,20H,3-4,6,8-15H2,1-2H3,(H,22,23,24)
InChIKeyWZEBAGUHQGLWLD-UHFFFAOYSA-N
XLogP2.25
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine (CID 128992298) is 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine is CC(C)C1OCCCC1Nc1ccnc(N2CCC(CN3CCOCC3)C2)n1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
The InChIKey is WZEBAGUHQGLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-16(2)20-18(4-3-11-28-20)23-19-5-7-22-21(24-19)26-8-6-17(15-26)14-25-9-12-27-13-10-25/h5,7,16-18,20H,3-4,6,8-15H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine?
2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine has a molecular weight of 389.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 128992298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).