N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide

C19H29N5O2 — CID 72867409

IUPACN-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCNc1cc(C)nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-12-9-17(20-2)23-19(21-12)24-10-15(13-3-4-13)16(11-24)22-18(25)14-5-7-26-8-6-14/h9,13-16H,3-8,10-11H2,1-2H3,(H,22,25)(H,20,21,23)/t15-,16+/m1/s1
InChIKeyCIIXJKPWAVCZTE-CVEARBPZSA-N
MW359.47 g/mol
LogP1.58
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72867409) 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-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72867409
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCNc1cc(C)nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)n1
InChIInChI=1S/C19H29N5O2/c1-12-9-17(20-2)23-19(21-12)24-10-15(13-3-4-13)16(11-24)22-18(25)14-5-7-26-8-6-14/h9,13-16H,3-8,10-11H2,1-2H3,(H,22,25)(H,20,21,23)/t15-,16+/m1/s1
InChIKeyCIIXJKPWAVCZTE-CVEARBPZSA-N
XLogP1.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.58
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-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide (CID 72867409) is N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide is CNc1cc(C)nc(N2C[C@H](NC(=O)C3CCOCC3)[C@@H](C3CC3)C2)n1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is CIIXJKPWAVCZTE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12-9-17(20-2)23-19(21-12)24-10-15(13-3-4-13)16(11-24)22-18(25)14-5-7-26-8-6-14/h9,13-16H,3-8,10-11H2,1-2H3,(H,22,25)(H,20,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-4-cyclopropyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.58, 5 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-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72867409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).