N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide

C19H29N5O2 — CID 133127945

IUPACN-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)N[C@@H]1CN(c2ncccn2)C[C@H]1C1CC1
InChIInChI=1S/C19H29N5O2/c25-18(3-1-8-23-9-11-26-12-10-23)22-17-14-24(13-16(17)15-4-5-15)19-20-6-2-7-21-19/h2,6-7,15-17H,1,3-5,8-14H2,(H,22,25)/t16-,17+/m0/s1
InChIKeyZPRKNCYVISWXJB-DLBZAZTESA-N
MW359.47 g/mol
LogP0.92
Rot. Bonds7

About N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide

N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide (PubChem CID 133127945) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide
PubChem CID133127945
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)N[C@@H]1CN(c2ncccn2)C[C@H]1C1CC1
InChIInChI=1S/C19H29N5O2/c25-18(3-1-8-23-9-11-26-12-10-23)22-17-14-24(13-16(17)15-4-5-15)19-20-6-2-7-21-19/h2,6-7,15-17H,1,3-5,8-14H2,(H,22,25)/t16-,17+/m0/s1
InChIKeyZPRKNCYVISWXJB-DLBZAZTESA-N
XLogP0.92
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide with MolForge

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Related Compounds

N-[1-(4-cyclopentylpyrimidin-2-yl)-4-cyclopropylpyrrolidin-3-yl]-2-hydroxyacetamide
CID 156603239
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91767847
N-[4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 156605379
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
CID 154897858
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206858
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
CID 166389608
N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
CID 72889509
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206857

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide (CID 133127945) is N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide is O=C(CCCN1CCOCC1)N[C@@H]1CN(c2ncccn2)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide?
The InChIKey is ZPRKNCYVISWXJB-DLBZAZTESA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(3-1-8-23-9-11-26-12-10-23)22-17-14-24(13-16(17)15-4-5-15)19-20-6-2-7-21-19/h2,6-7,15-17H,1,3-5,8-14H2,(H,22,25)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide?
N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 133127945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).