N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine

C20H33N5O — CID 72929904

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N[C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)n1
InChIInChI=1S/C20H33N5O/c1-15-21-7-6-19(22-15)23-18-13-24(12-17(18)16-4-5-16)14-20(2,3)25-8-10-26-11-9-25/h6-7,16-18H,4-5,8-14H2,1-3H3,(H,21,22,23)/t17-,18+/m1/s1
InChIKeyXYHXHPJMZQFZHQ-MSOLQXFVSA-N
MW359.52 g/mol
LogP2.02
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine

N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine (PubChem CID 72929904) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
PubChem CID72929904
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N[C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)n1
InChIInChI=1S/C20H33N5O/c1-15-21-7-6-19(22-15)23-18-13-24(12-17(18)16-4-5-16)14-20(2,3)25-8-10-26-11-9-25/h6-7,16-18H,4-5,8-14H2,1-3H3,(H,21,22,23)/t17-,18+/m1/s1
InChIKeyXYHXHPJMZQFZHQ-MSOLQXFVSA-N
XLogP2.02
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine (CID 72929904) is N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine is Cc1nccc(N[C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)n1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
The InChIKey is XYHXHPJMZQFZHQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15-21-7-6-19(22-15)23-18-13-24(12-17(18)16-4-5-16)14-20(2,3)25-8-10-26-11-9-25/h6-7,16-18H,4-5,8-14H2,1-3H3,(H,21,22,23)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine?
N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine has a molecular weight of 359.52 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 72929904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).