4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine

C19H25N5O — CID 74244355

IUPAC4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccc(CN3CCOCC3)c2)cc(N2CCCC2)n1
InChIInChI=1S/C19H25N5O/c20-19-21-17(13-18(22-19)24-6-1-2-7-24)16-5-3-4-15(12-16)14-23-8-10-25-11-9-23/h3-5,12-13H,1-2,6-11,14H2,(H2,20,21,22)
InChIKeyLCNMVYGILLVAPD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.16
Rot. Bonds4

About 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine

4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 74244355) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID74244355
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccc(CN3CCOCC3)c2)cc(N2CCCC2)n1
InChIInChI=1S/C19H25N5O/c20-19-21-17(13-18(22-19)24-6-1-2-7-24)16-5-3-4-15(12-16)14-23-8-10-25-11-9-23/h3-5,12-13H,1-2,6-11,14H2,(H2,20,21,22)
InChIKeyLCNMVYGILLVAPD-UHFFFAOYSA-N
XLogP2.16
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 74244355) is 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine is Nc1nc(-c2cccc(CN3CCOCC3)c2)cc(N2CCCC2)n1.
What is the InChIKey of 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is LCNMVYGILLVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-19-21-17(13-18(22-19)24-6-1-2-7-24)16-5-3-4-15(12-16)14-23-8-10-25-11-9-23/h3-5,12-13H,1-2,6-11,14H2,(H2,20,21,22).
What are the key properties of 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 74244355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).