N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide

C19H29N5O2 — CID 72861577

IUPACN-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCNc1nc(N2C[C@H](NC(=O)CCOC)[C@@H](C3CC3)C2)nc2c1CCC2
InChIInChI=1S/C19H29N5O2/c1-20-18-13-4-3-5-15(13)22-19(23-18)24-10-14(12-6-7-12)16(11-24)21-17(25)8-9-26-2/h12,14,16H,3-11H2,1-2H3,(H,21,25)(H,20,22,23)/t14-,16+/m1/s1
InChIKeyWODQIKDHEAHUGC-ZBFHGGJFSA-N
MW359.47 g/mol
LogP1.37
Rot. Bonds7

About N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide

N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 72861577) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID72861577
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide
SMILESCNc1nc(N2C[C@H](NC(=O)CCOC)[C@@H](C3CC3)C2)nc2c1CCC2
InChIInChI=1S/C19H29N5O2/c1-20-18-13-4-3-5-15(13)22-19(23-18)24-10-14(12-6-7-12)16(11-24)21-17(25)8-9-26-2/h12,14,16H,3-11H2,1-2H3,(H,21,25)(H,20,22,23)/t14-,16+/m1/s1
InChIKeyWODQIKDHEAHUGC-ZBFHGGJFSA-N
XLogP1.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide (CID 72861577) is N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide is CNc1nc(N2C[C@H](NC(=O)CCOC)[C@@H](C3CC3)C2)nc2c1CCC2.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is WODQIKDHEAHUGC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-20-18-13-4-3-5-15(13)22-19(23-18)24-10-14(12-6-7-12)16(11-24)21-17(25)8-9-26-2/h12,14,16H,3-11H2,1-2H3,(H,21,25)(H,20,22,23)/t14-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 359.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 72861577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).