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

C14H21N5O — CID 97198298

IUPACN-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2nc(N)nc3c2CCCC3)C1
InChIInChI=1S/C14H21N5O/c1-9(20)16-10-6-7-19(8-10)13-11-4-2-3-5-12(11)17-14(15)18-13/h10H,2-8H2,1H3,(H,16,20)(H2,15,17,18)/t10-/m0/s1
InChIKeyDYLYOIIUOIZAPD-JTQLQIEISA-N
MW275.36 g/mol
LogP0.65
Rot. Bonds2

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

N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 97198298) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID97198298
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(c2nc(N)nc3c2CCCC3)C1
InChIInChI=1S/C14H21N5O/c1-9(20)16-10-6-7-19(8-10)13-11-4-2-3-5-12(11)17-14(15)18-13/h10H,2-8H2,1H3,(H,16,20)(H2,15,17,18)/t10-/m0/s1
InChIKeyDYLYOIIUOIZAPD-JTQLQIEISA-N
XLogP0.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide (CID 97198298) is N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(c2nc(N)nc3c2CCCC3)C1.
What is the InChIKey of N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is DYLYOIIUOIZAPD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(20)16-10-6-7-19(8-10)13-11-4-2-3-5-12(11)17-14(15)18-13/h10H,2-8H2,1H3,(H,16,20)(H2,15,17,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97198298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).