N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide

C19H29N5O — CID 72870903

IUPACN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1
InChIInChI=1S/C19H29N5O/c1-12-14-5-3-4-6-16(14)23-19(21-12)24-10-15(13-7-8-13)17(11-24)22-18(25)9-20-2/h13,15,17,20H,3-11H2,1-2H3,(H,22,25)/t15-,17+/m1/s1
InChIKeyNUPBGVOFPAXXIC-WBVHZDCISA-N
MW343.48 g/mol
LogP1.21
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide

N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide (PubChem CID 72870903) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide
PubChem CID72870903
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1
InChIInChI=1S/C19H29N5O/c1-12-14-5-3-4-6-16(14)23-19(21-12)24-10-15(13-7-8-13)17(11-24)22-18(25)9-20-2/h13,15,17,20H,3-11H2,1-2H3,(H,22,25)/t15-,17+/m1/s1
InChIKeyNUPBGVOFPAXXIC-WBVHZDCISA-N
XLogP1.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide (CID 72870903) is N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide is CNCC(=O)N[C@H]1CN(c2nc(C)c3c(n2)CCCC3)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The InChIKey is NUPBGVOFPAXXIC-WBVHZDCISA-N. The full InChI is InChI=1S/C19H29N5O/c1-12-14-5-3-4-6-16(14)23-19(21-12)24-10-15(13-7-8-13)17(11-24)22-18(25)9-20-2/h13,15,17,20H,3-11H2,1-2H3,(H,22,25)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide has a molecular weight of 343.48 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 72870903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).