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

C19H31N5O — CID 72846746

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCC(C)(CN1C[C@H](Nc2ncccn2)[C@@H](C2CC2)C1)N1CCOCC1
InChIInChI=1S/C19H31N5O/c1-19(2,24-8-10-25-11-9-24)14-23-12-16(15-4-5-15)17(13-23)22-18-20-6-3-7-21-18/h3,6-7,15-17H,4-5,8-14H2,1-2H3,(H,20,21,22)/t16-,17+/m1/s1
InChIKeyIFDSELQNAJRCME-SJORKVTESA-N
MW345.49 g/mol
LogP1.71
Rot. Bonds6

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

N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 72846746) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID72846746
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCC(C)(CN1C[C@H](Nc2ncccn2)[C@@H](C2CC2)C1)N1CCOCC1
InChIInChI=1S/C19H31N5O/c1-19(2,24-8-10-25-11-9-24)14-23-12-16(15-4-5-15)17(13-23)22-18-20-6-3-7-21-18/h3,6-7,15-17H,4-5,8-14H2,1-2H3,(H,20,21,22)/t16-,17+/m1/s1
InChIKeyIFDSELQNAJRCME-SJORKVTESA-N
XLogP1.71
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.71
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]pyrimidin-2-amine?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine (CID 72846746) is N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine is CC(C)(CN1C[C@H](Nc2ncccn2)[C@@H](C2CC2)C1)N1CCOCC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is IFDSELQNAJRCME-SJORKVTESA-N. The full InChI is InChI=1S/C19H31N5O/c1-19(2,24-8-10-25-11-9-24)14-23-12-16(15-4-5-15)17(13-23)22-18-20-6-3-7-21-18/h3,6-7,15-17H,4-5,8-14H2,1-2H3,(H,20,21,22)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine?
N-[(3R,4S)-4-cyclopropyl-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 345.49 g/mol, XLogP of 1.71, 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]pyrimidin-2-amine is sourced from PubChem (CID 72846746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).